DOI: 10.1063/1.3242083. Water structure, dynamics, and vibrational spectroscopy in sodium bromide solutions

Water structure, dynamics, and vibrational spectroscopy in sodium bromide solutions

10.1063/1.3242083

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We study theoretically the steady-state and ultrafast vibrational spectroscopy, in the OD-stretch region, of dilute HOD in aqueous solutions of sodium bromide. Based on electronic-structure calculations on clusters containing salt ions and water, we develop new spectroscopic maps that enable us to undertake this study. We calculate OD-stretch absorption line shapes as a function of salt concentration, finding good agreement with experiment. We provide molecular-level understandings of the monotonic (as a function of concentration) blueshift, and nonmonotonic line width. We also calculate the frequency time-correlation function, as measured by spectral diffusion experiments. Here again we obtain good agreement with experiment, finding that at the highest salt concentration spectral diffusion slows down by a factor of 3 or 4 (compared to pure water). For longer times than can be accessed experimentally, we find that spectral diffusion is very complicated, with processes occurring on multiple time scales. We argue that from 6 to 40 ps, relaxation involves anionic solvation shell rearrangements. Finally, we consider our findings within the general context of the Hofmeister series, concluding that this series must reflect only local ordering of water molecules.

Bibliography

Lin, Y.-S., Auer, B. M., & Skinner, J. L. (2009). Water structure, dynamics, and vibrational spectroscopy in sodium bromide solutions. The Journal of Chemical Physics, 131(14).

Authors 3

Y.-S. Lin (first)
B. M. Auer (additional)
J. L. Skinner (additional)

References 122 Referenced 140

{'volume-title': 'Water: A Comprehensive Treatise', 'year': '1972', 'author': 'Franks', 'key': '2023062604262673100_c1'} / Water: A Comprehensive Treatise by Franks (1972)
10.1038/452291a / Nature (London) (2008)
{'volume-title': 'Life’s Matrix: A Biography of Water', 'year': '1999', 'key': '2023062604262673100_c3'} / Life’s Matrix: A Biography of Water (1999)
10.1021/cr068037a / Chem. Rev. (Washington, D.C.) (2008)
10.1021/cr8003828 / Chem. Rev. (Washington, D.C.) (2009)
10.1007/BF01964670 / Arch. Exp. Pathol. Pharmakol. (1888)
10.1016/j.cocis.2004.05.005 / Curr. Opin. Colloid Interface Sci. (2004)
10.1016/S0006-3495(96)79404-3 / Biophys. J. (1996)
10.1016/j.ymeth.2004.03.021 / Methods (2004)
10.1021/ja073097z / J. Am. Chem. Soc. (2007)
10.1021/ja068305m / J. Am. Chem. Soc. (2007)
10.1016/j.cplett.2008.10.090 / Chem. Phys. Lett. (2008)
10.1021/jp800816a / J. Phys. Chem. B (2008)
10.1146/annurev.physchem.57.032905.104609 / Annu. Rev. Phys. Chem. (2006)
10.1073/pnas.0606256103 / Proc. Natl. Acad. Sci. U.S.A. (2006)
10.1021/jp070245z / J. Phys. Chem. B (2007)
10.1021/jp076710+ / J. Phys. Chem. B (2008)
10.1021/j100890a034 / J. Phys. Chem. (1965)
10.1017/S0033583500005369 / Q. Rev. Biophys. (1985)
10.1016/j.cocis.2004.05.004 / Curr. Opin. Colloid Interface Sci. (2004)
10.1021/cen-v085n051.p047 / Chem. Eng. News (2007)
10.1126/science.1152799 / Science (2008)
10.1016/j.cplett.2008.11.013 / Chem. Phys. Lett. (2009)
10.1016/j.molliq.2008.07.010 / J. Mol. Liq. (2008)
10.1126/science.1084801 / Science (2003)
10.1021/ja039335h / J. Am. Chem. Soc. (2004)
10.1021/ja047715c / J. Am. Chem. Soc. (2004)
10.1016/j.cbpa.2006.09.020 / Curr. Opin. Chem. Biol. (2006)
10.1021/ja071933z / J. Am. Chem. Soc. (2007)
10.1021/jp075913v / J. Phys. Chem. B (2007)
10.1021/jp7120164 / J. Phys. Chem. B (2008)
10.1021/jp056981p / J. Phys. Chem. B (2006)
10.1021/jp808732s / J. Phys. Chem. B (2009)
{'volume-title': 'Infrared and Raman Spectroscopy: Methods and Applications', 'year': '1995', 'key': '2023062604262673100_c34'} / Infrared and Raman Spectroscopy: Methods and Applications (1995)
10.1146/annurev.physchem.51.1.691 / Annu. Rev. Phys. Chem. (2000)
{'volume-title': 'Infrared and Raman Spectroscopy of Biological Materials', 'year': '2001', 'key': '2023062604262673100_c36'} / Infrared and Raman Spectroscopy of Biological Materials (2001)
{'volume-title': 'Infrared Spectroscopy: Fundamentals and Applications', 'year': '2004', 'key': '2023062604262673100_c37'} / Infrared Spectroscopy: Fundamentals and Applications (2004)
10.1002/lapl.200710046 / Laser Phys. Lett. (2007)
10.1073/pnas.0704079104 / Proc. Natl. Acad. Sci. U.S.A. (2007)
10.1021/cr078377b / Chem. Rev. (Washington, D.C.) (2008)
10.1021/j100343a008 / J. Phys. Chem. (1989)
10.1366/0003702963905385 / Appl. Spectrosc. (1996)
10.1063/1.1894929 / J. Chem. Phys. (2005)
10.1016/0022-2860(86)87054-5 / J. Mol. Struct. (1986)
10.1063/1.1683072 / J. Chem. Phys. (2004)
10.1021/jp0506540 / J. Phys. Chem. A (2005)
10.1073/pnas.0701482104 / Proc. Natl. Acad. Sci. U.S.A. (2007)
10.1073/pnas.0506899102 / Proc. Natl. Acad. Sci. U.S.A. (2005)
10.1021/jp051364m / J. Phys. Chem. A (2005)
10.1021/jp046685x / J. Phys. Chem. A (2005)
10.1063/1.2008251 / J. Chem. Phys. (2005)
10.1063/1.2925258 / J. Chem. Phys. (2008)
10.1038/990058 / Nature (London) (1999)
10.1038/nature03383 / Nature (London) (2005)
10.1063/1.2766943 / J. Chem. Phys. (2007)
10.1073/pnas.0705792105 / Proc. Natl. Acad. Sci. U.S.A. (2008)
10.1002/9780470475935.ch2 / Adv. Chem. Phys. (2009)
10.1021/jp062033s / J. Phys. Chem. A (2006)
10.1063/1.2919050 / J. Chem. Phys. (2008)
10.1063/1.2717184 / J. Chem. Phys. (2007)
10.1002/cphc.200800236 / ChemPhysChem (2008)
10.1021/j100244a061 / J. Phys. Chem. (1983)
10.1063/1.2790437 / J. Chem. Phys. (2007)
{'key': '2023062604262673100_c64'}
10.1063/1.1412249 / J. Chem. Phys. (2001)
10.1126/science.1058190 / Science (2001)
{'volume-title': 'Principles of Nonlinear Optical Spectroscopy', 'year': '1995', 'key': '2023062604262673100_c67'} / Principles of Nonlinear Optical Spectroscopy (1995)
10.1103/PhysRevLett.88.077601 / Phys. Rev. Lett. (2002)
10.1063/1.1623746 / J. Chem. Phys. (2003)
10.1021/cr0206622 / Chem. Rev. (Washington, D.C.) (2008)
10.1073/pnas.0707824104 / Proc. Natl. Acad. Sci. U.S.A. (2007)
10.1021/jp7121856 / J. Phys. Chem. B (2008)
10.1021/ar900043h / Acc. Chem. Res. (2009)
10.1063/1.2772269 / J. Chem. Phys. (2007)
10.1021/jp902424u / J. Phys. Chem. A (2009)
10.1021/jp953050c / J. Phys. Chem. (1996)
10.1021/jp961317h / J. Phys. Chem. (1996)
10.1021/jp982270y / J. Phys. Chem. A (1998)
10.1021/jp980642x / J. Phys. Chem. B (1998)
10.1021/ja011030k / J. Am. Chem. Soc. (2001)
10.1103/PhysRevE.66.041203 / Phys. Rev. E (2002)
10.1063/1.1421366 / J. Chem. Phys. (2002)
10.1016/j.molliq.2004.08.004 / J. Mol. Liq. (2005)
10.1063/1.1853352 / J. Chem. Phys. (2005)
10.1063/1.2013209 / J. Chem. Phys. (2005)
10.1063/1.2185105 / J. Chem. Phys. (2006)
10.1063/1.2403867 / J. Chem. Phys. (2006)
10.1021/jp056003l / J. Phys. Chem. B (2006)
10.1021/jp064659o / J. Phys. Chem. B (2007)
10.1073/pnas.0701699104 / Proc. Natl. Acad. Sci. U.S.A. (2007)
10.1063/1.2397683 / J. Chem. Phys. (2007)
10.1021/jp802033r / J. Phys. Chem. B (2008)
10.1021/jp027230f / J. Phys. Chem. B (2003)
10.1021/jp057544d / J. Phys. Chem. B (2006)
10.1021/jp806782r / J. Phys. Chem. B (2009)
10.1021/jp809782z / J. Phys. Chem. B (2009)
10.1063/1.2979247 / J. Chem. Phys. (2008)
10.1063/1.3124184 / J. Chem. Phys. (2009)
10.1021/jp064846m / J. Phys. Chem. A (2006)
10.1063/1.3006032 / J. Chem. Phys. (2008)
10.1021/jp047395j / J. Phys. Chem. A (2005)
10.1063/1.461374 / J. Chem. Phys. (1991)
10.1021/jp026419o / J. Phys. Chem. A (2002)
10.1021/jp035935r / J. Phys. Chem. A (2004)
10.1063/1.1514652 / J. Chem. Phys. (2002)
10.1016/S0009-2614(02)02039-0 / Chem. Phys. Lett. (2003)
10.1063/1.1525802 / J. Chem. Phys. (2003)
10.1073/pnas.0505206102 / Proc. Natl. Acad. Sci. U.S.A. (2005)
10.1021/j100308a038 / J. Phys. Chem. (1987)
10.1063/1.466363 / J. Chem. Phys. (1994)
{'year': '2005', 'key': '2023062604262673100_c111'} (2005)
10.1142/1893 / Physics Computing 92 by Groot (1993)
{'key': '2023062604262673100_c113', 'first-page': '43', 'volume': '91', 'year': '1995', 'journal-title': 'ChemPhysChem'} / ChemPhysChem (1995)
10.1007/s008940100045 / J. Mol. Model. (2001)
10.1002/jcc.20291 / J. Comput. Chem. (2005)
10.1021/cr00019a014 / Chem. Rev. (Washington, D.C.) (1993)
10.1063/1.1961472 / J. Chem. Phys. (2005)
{'year': '1998', 'key': '2023062604262673100_c118'} (1998)
10.1063/1.2742385 / J. Chem. Phys. (2007)
{'edition': '73th ed.', 'volume-title': 'Handbook of Chemistry and Physics', 'year': '1992', 'key': '2023062604262673100_c120'} / Handbook of Chemistry and Physics (1992)
{'volume-title': 'Densities of Aqueous Solutions of Inorganic Substances', 'year': '1985', 'key': '2023062604262673100_c121'} / Densities of Aqueous Solutions of Inorganic Substances (1985)
{'volume-title': 'Computer Simulation of Liquids', 'year': '1987', 'key': '2023062604262673100_c122'} / Computer Simulation of Liquids (1987)

Dates

Type	When
Created	15 years, 10 months ago (Oct. 13, 2009, 6:57 p.m.)
Deposited	2 years, 2 months ago (June 26, 2023, 12:26 a.m.)
Indexed	14 minutes ago (Aug. 28, 2025, 12:07 a.m.)
Issued	15 years, 10 months ago (Oct. 13, 2009)
Published	15 years, 10 months ago (Oct. 13, 2009)
Published Online	15 years, 10 months ago (Oct. 13, 2009)
Published Print	15 years, 10 months ago (Oct. 14, 2009)

Funders 0

None

BibTeX

@article{Lin_2009, title={Water structure, dynamics, and vibrational spectroscopy in sodium bromide solutions}, volume={131}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.3242083}, DOI={10.1063/1.3242083}, number={14}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Lin, Y.-S. and Auer, B. M. and Skinner, J. L.}, year={2009}, month=oct }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        28
      ]
    ],
    "date-time": "2025-08-28T04:07:15Z",
    "timestamp": 1756354035332,
    "version": "3.41.2"
  },
  "reference-count": 122,
  "publisher": "AIP Publishing",
  "issue": "14",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        2009,
        10,
        14
      ]
    ]
  },
  "abstract": "<jats:p>We study theoretically the steady-state and ultrafast vibrational spectroscopy, in the OD-stretch region, of dilute HOD in aqueous solutions of sodium bromide. Based on electronic-structure calculations on clusters containing salt ions and water, we develop new spectroscopic maps that enable us to undertake this study. We calculate OD-stretch absorption line shapes as a function of salt concentration, finding good agreement with experiment. We provide molecular-level understandings of the monotonic (as a function of concentration) blueshift, and nonmonotonic line width. We also calculate the frequency time-correlation function, as measured by spectral diffusion experiments. Here again we obtain good agreement with experiment, finding that at the highest salt concentration spectral diffusion slows down by a factor of 3 or 4 (compared to pure water). For longer times than can be accessed experimentally, we find that spectral diffusion is very complicated, with processes occurring on multiple time scales. We argue that from 6 to 40 ps, relaxation involves anionic solvation shell rearrangements. Finally, we consider our findings within the general context of the Hofmeister series, concluding that this series must reflect only local ordering of water molecules.</jats:p>",
  "DOI": "10.1063/1.3242083",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2009,
        10,
        13
      ]
    ],
    "date-time": "2009-10-13T22:57:10Z",
    "timestamp": 1255474630000
  },
  "update-policy": "https://doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 140,
  "title": "Water structure, dynamics, and vibrational spectroscopy in sodium bromide solutions",
  "prefix": "10.1063",
  "volume": "131",
  "author": [
    {
      "given": "Y.-S.",
      "family": "Lin",
      "sequence": "first",
      "affiliation": [
        {
          "name": "University of Wisconsin Department of Chemistry and Theoretical Chemistry Institute, , Madison, Wisconsin 53706, USA"
        }
      ]
    },
    {
      "given": "B. M.",
      "family": "Auer",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "University of Wisconsin Department of Chemistry and Theoretical Chemistry Institute, , Madison, Wisconsin 53706, USA"
        }
      ]
    },
    {
      "given": "J. L.",
      "family": "Skinner",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "University of Wisconsin Department of Chemistry and Theoretical Chemistry Institute, , Madison, Wisconsin 53706, USA"
        }
      ]
    }
  ],
  "member": "317",
  "published-online": {
    "date-parts": [
      [
        2009,
        10,
        13
      ]
    ]
  },
  "reference": [
    {
      "volume-title": "Water: A Comprehensive Treatise",
      "year": "1972",
      "author": "Franks",
      "key": "2023062604262673100_c1"
    },
    {
      "key": "2023062604262673100_c2",
      "doi-asserted-by": "publisher",
      "first-page": "291",
      "DOI": "10.1038/452291a",
      "volume": "452",
      "year": "2008",
      "journal-title": "Nature (London)"
    },
    {
      "volume-title": "Life\u2019s Matrix: A Biography of Water",
      "year": "1999",
      "key": "2023062604262673100_c3"
    },
    {
      "key": "2023062604262673100_c4",
      "doi-asserted-by": "publisher",
      "first-page": "74",
      "DOI": "10.1021/cr068037a",
      "volume": "108",
      "year": "2008",
      "journal-title": "Chem. Rev. (Washington, D.C.)"
    },
    {
      "key": "2023062604262673100_c5",
      "doi-asserted-by": "publisher",
      "first-page": "1346",
      "DOI": "10.1021/cr8003828",
      "volume": "109",
      "year": "2009",
      "journal-title": "Chem. Rev. (Washington, D.C.)"
    },
    {
      "key": "2023062604262673100_c6",
      "doi-asserted-by": "publisher",
      "first-page": "1",
      "DOI": "10.1007/BF01964670",
      "volume": "25",
      "year": "1888",
      "journal-title": "Arch. Exp. Pathol. Pharmakol."
    },
    {
      "key": "2023062604262673100_c7",
      "doi-asserted-by": "publisher",
      "first-page": "19",
      "DOI": "10.1016/j.cocis.2004.05.005",
      "volume": "9",
      "year": "2004",
      "journal-title": "Curr. Opin. Colloid Interface Sci."
    },
    {
      "key": "2023062604262673100_c8",
      "doi-asserted-by": "publisher",
      "first-page": "2056",
      "DOI": "10.1016/S0006-3495(96)79404-3",
      "volume": "71",
      "year": "1996",
      "journal-title": "Biophys. J."
    },
    {
      "key": "2023062604262673100_c9",
      "doi-asserted-by": "publisher",
      "first-page": "300",
      "DOI": "10.1016/j.ymeth.2004.03.021",
      "volume": "34",
      "year": "2004",
      "journal-title": "Methods"
    },
    {
      "key": "2023062604262673100_c10",
      "doi-asserted-by": "publisher",
      "first-page": "14887",
      "DOI": "10.1021/ja073097z",
      "volume": "129",
      "year": "2007",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2023062604262673100_c11",
      "doi-asserted-by": "publisher",
      "first-page": "4678",
      "DOI": "10.1021/ja068305m",
      "volume": "129",
      "year": "2007",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2023062604262673100_c12",
      "doi-asserted-by": "publisher",
      "first-page": "1",
      "DOI": "10.1016/j.cplett.2008.10.090",
      "volume": "467",
      "year": "2008",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2023062604262673100_c13",
      "doi-asserted-by": "publisher",
      "first-page": "9428",
      "DOI": "10.1021/jp800816a",
      "volume": "112",
      "year": "2008",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c14",
      "doi-asserted-by": "publisher",
      "first-page": "333",
      "DOI": "10.1146/annurev.physchem.57.032905.104609",
      "volume": "57",
      "year": "2006",
      "journal-title": "Annu. Rev. Phys. Chem."
    },
    {
      "key": "2023062604262673100_c15",
      "doi-asserted-by": "publisher",
      "first-page": "14278",
      "DOI": "10.1073/pnas.0606256103",
      "volume": "103",
      "year": "2006",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "2023062604262673100_c16",
      "doi-asserted-by": "publisher",
      "first-page": "5411",
      "DOI": "10.1021/jp070245z",
      "volume": "111",
      "year": "2007",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c17",
      "doi-asserted-by": "publisher",
      "first-page": "1729",
      "DOI": "10.1021/jp076710+",
      "volume": "112",
      "year": "2008",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c18",
      "doi-asserted-by": "publisher",
      "first-page": "2001",
      "DOI": "10.1021/j100890a034",
      "volume": "69",
      "year": "1965",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2023062604262673100_c19",
      "doi-asserted-by": "publisher",
      "first-page": "323",
      "DOI": "10.1017/S0033583500005369",
      "volume": "18",
      "year": "1985",
      "journal-title": "Q. Rev. Biophys."
    },
    {
      "key": "2023062604262673100_c20",
      "doi-asserted-by": "publisher",
      "first-page": "1",
      "DOI": "10.1016/j.cocis.2004.05.004",
      "volume": "9",
      "year": "2004",
      "journal-title": "Curr. Opin. Colloid Interface Sci."
    },
    {
      "key": "2023062604262673100_c21",
      "doi-asserted-by": "crossref",
      "first-page": "47",
      "DOI": "10.1021/cen-v085n051.p047",
      "volume": "85",
      "year": "2007",
      "journal-title": "Chem. Eng. News"
    },
    {
      "key": "2023062604262673100_c22",
      "doi-asserted-by": "publisher",
      "first-page": "1197",
      "DOI": "10.1126/science.1152799",
      "volume": "319",
      "year": "2008",
      "journal-title": "Science"
    },
    {
      "key": "2023062604262673100_c23",
      "doi-asserted-by": "publisher",
      "first-page": "217",
      "DOI": "10.1016/j.cplett.2008.11.013",
      "volume": "467",
      "year": "2009",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2023062604262673100_c24",
      "doi-asserted-by": "publisher",
      "first-page": "160",
      "DOI": "10.1016/j.molliq.2008.07.010",
      "volume": "143",
      "year": "2008",
      "journal-title": "J. Mol. Liq."
    },
    {
      "key": "2023062604262673100_c25",
      "doi-asserted-by": "publisher",
      "first-page": "347",
      "DOI": "10.1126/science.1084801",
      "volume": "301",
      "year": "2003",
      "journal-title": "Science"
    },
    {
      "key": "2023062604262673100_c26",
      "doi-asserted-by": "publisher",
      "first-page": "1958",
      "DOI": "10.1021/ja039335h",
      "volume": "126",
      "year": "2004",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2023062604262673100_c27",
      "doi-asserted-by": "publisher",
      "first-page": "10522",
      "DOI": "10.1021/ja047715c",
      "volume": "126",
      "year": "2004",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2023062604262673100_c28",
      "doi-asserted-by": "publisher",
      "first-page": "658",
      "DOI": "10.1016/j.cbpa.2006.09.020",
      "volume": "10",
      "year": "2006",
      "journal-title": "Curr. Opin. Chem. Biol."
    },
    {
      "key": "2023062604262673100_c29",
      "doi-asserted-by": "publisher",
      "first-page": "13847",
      "DOI": "10.1021/ja071933z",
      "volume": "129",
      "year": "2007",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2023062604262673100_c30",
      "doi-asserted-by": "publisher",
      "first-page": "13570",
      "DOI": "10.1021/jp075913v",
      "volume": "111",
      "year": "2007",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c31",
      "doi-asserted-by": "publisher",
      "first-page": "12768",
      "DOI": "10.1021/jp7120164",
      "volume": "112",
      "year": "2008",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c32",
      "doi-asserted-by": "publisher",
      "first-page": "6332",
      "DOI": "10.1021/jp056981p",
      "volume": "110",
      "year": "2006",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c33",
      "doi-asserted-by": "publisher",
      "first-page": "1805",
      "DOI": "10.1021/jp808732s",
      "volume": "113",
      "year": "2009",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "volume-title": "Infrared and Raman Spectroscopy: Methods and Applications",
      "year": "1995",
      "key": "2023062604262673100_c34"
    },
    {
      "key": "2023062604262673100_c35",
      "doi-asserted-by": "publisher",
      "first-page": "691",
      "DOI": "10.1146/annurev.physchem.51.1.691",
      "volume": "51",
      "year": "2000",
      "journal-title": "Annu. Rev. Phys. Chem."
    },
    {
      "volume-title": "Infrared and Raman Spectroscopy of Biological Materials",
      "year": "2001",
      "key": "2023062604262673100_c36"
    },
    {
      "volume-title": "Infrared Spectroscopy: Fundamentals and Applications",
      "year": "2004",
      "key": "2023062604262673100_c37"
    },
    {
      "key": "2023062604262673100_c38",
      "doi-asserted-by": "publisher",
      "first-page": "704",
      "DOI": "10.1002/lapl.200710046",
      "volume": "4",
      "year": "2007",
      "journal-title": "Laser Phys. Lett."
    },
    {
      "key": "2023062604262673100_c39",
      "doi-asserted-by": "publisher",
      "first-page": "14190",
      "DOI": "10.1073/pnas.0704079104",
      "volume": "104",
      "year": "2007",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "2023062604262673100_c40",
      "doi-asserted-by": "publisher",
      "first-page": "1331",
      "DOI": "10.1021/cr078377b",
      "volume": "108",
      "year": "2008",
      "journal-title": "Chem. Rev. (Washington, D.C.)"
    },
    {
      "key": "2023062604262673100_c41",
      "doi-asserted-by": "publisher",
      "first-page": "2210",
      "DOI": "10.1021/j100343a008",
      "volume": "93",
      "year": "1989",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2023062604262673100_c42",
      "doi-asserted-by": "publisher",
      "first-page": "1047",
      "DOI": "10.1366/0003702963905385",
      "volume": "50",
      "year": "1996",
      "journal-title": "Appl. Spectrosc."
    },
    {
      "key": "2023062604262673100_c43",
      "doi-asserted-by": "publisher",
      "first-page": "184509",
      "DOI": "10.1063/1.1894929",
      "volume": "122",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c44",
      "doi-asserted-by": "publisher",
      "first-page": "1",
      "DOI": "10.1016/0022-2860(86)87054-5",
      "volume": "147",
      "year": "1986",
      "journal-title": "J. Mol. Struct."
    },
    {
      "key": "2023062604262673100_c45",
      "doi-asserted-by": "publisher",
      "first-page": "8107",
      "DOI": "10.1063/1.1683072",
      "volume": "120",
      "year": "2004",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c46",
      "doi-asserted-by": "publisher",
      "first-page": "6154",
      "DOI": "10.1021/jp0506540",
      "volume": "109",
      "year": "2005",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "2023062604262673100_c47",
      "doi-asserted-by": "publisher",
      "first-page": "14215",
      "DOI": "10.1073/pnas.0701482104",
      "volume": "104",
      "year": "2007",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "2023062604262673100_c48",
      "doi-asserted-by": "publisher",
      "first-page": "14171",
      "DOI": "10.1073/pnas.0506899102",
      "volume": "102",
      "year": "2005",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "2023062604262673100_c49",
      "doi-asserted-by": "publisher",
      "first-page": "9424",
      "DOI": "10.1021/jp051364m",
      "volume": "109",
      "year": "2005",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "2023062604262673100_c50",
      "doi-asserted-by": "publisher",
      "first-page": "64",
      "DOI": "10.1021/jp046685x",
      "volume": "109",
      "year": "2005",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "2023062604262673100_c51",
      "doi-asserted-by": "publisher",
      "first-page": "114504",
      "DOI": "10.1063/1.2008251",
      "volume": "123",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c52",
      "doi-asserted-by": "publisher",
      "first-page": "224511",
      "DOI": "10.1063/1.2925258",
      "volume": "128",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c53",
      "doi-asserted-by": "publisher",
      "first-page": "507",
      "DOI": "10.1038/990058",
      "volume": "402",
      "year": "1999",
      "journal-title": "Nature (London)"
    },
    {
      "key": "2023062604262673100_c54",
      "doi-asserted-by": "publisher",
      "first-page": "199",
      "DOI": "10.1038/nature03383",
      "volume": "434",
      "year": "2005",
      "journal-title": "Nature (London)"
    },
    {
      "key": "2023062604262673100_c55",
      "doi-asserted-by": "publisher",
      "first-page": "104105",
      "DOI": "10.1063/1.2766943",
      "volume": "127",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c56",
      "doi-asserted-by": "publisher",
      "first-page": "437",
      "DOI": "10.1073/pnas.0705792105",
      "volume": "105",
      "year": "2008",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "2023062604262673100_c57",
      "doi-asserted-by": "publisher",
      "first-page": "59",
      "DOI": "10.1002/9780470475935.ch2",
      "volume": "142",
      "year": "2009",
      "journal-title": "Adv. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c58",
      "doi-asserted-by": "publisher",
      "first-page": "9469",
      "DOI": "10.1021/jp062033s",
      "volume": "110",
      "year": "2006",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "2023062604262673100_c59",
      "doi-asserted-by": "publisher",
      "first-page": "191103",
      "DOI": "10.1063/1.2919050",
      "volume": "128",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c60",
      "doi-asserted-by": "publisher",
      "first-page": "184507",
      "DOI": "10.1063/1.2717184",
      "volume": "126",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c61",
      "doi-asserted-by": "publisher",
      "first-page": "1914",
      "DOI": "10.1002/cphc.200800236",
      "volume": "9",
      "year": "2008",
      "journal-title": "ChemPhysChem"
    },
    {
      "key": "2023062604262673100_c62",
      "doi-asserted-by": "publisher",
      "first-page": "4295",
      "DOI": "10.1021/j100244a061",
      "volume": "87",
      "year": "1983",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2023062604262673100_c63",
      "doi-asserted-by": "publisher",
      "first-page": "204710",
      "DOI": "10.1063/1.2790437",
      "volume": "127",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c64"
    },
    {
      "key": "2023062604262673100_c65",
      "doi-asserted-by": "publisher",
      "first-page": "8942",
      "DOI": "10.1063/1.1412249",
      "volume": "115",
      "year": "2001",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c66",
      "doi-asserted-by": "publisher",
      "first-page": "2118",
      "DOI": "10.1126/science.1058190",
      "volume": "291",
      "year": "2001",
      "journal-title": "Science"
    },
    {
      "volume-title": "Principles of Nonlinear Optical Spectroscopy",
      "year": "1995",
      "key": "2023062604262673100_c67"
    },
    {
      "key": "2023062604262673100_c68",
      "doi-asserted-by": "publisher",
      "first-page": "077601",
      "DOI": "10.1103/PhysRevLett.88.077601",
      "volume": "88",
      "year": "2002",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023062604262673100_c69",
      "doi-asserted-by": "publisher",
      "first-page": "12457",
      "DOI": "10.1063/1.1623746",
      "volume": "119",
      "year": "2003",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c70",
      "doi-asserted-by": "publisher",
      "first-page": "1456",
      "DOI": "10.1021/cr0206622",
      "volume": "108",
      "year": "2008",
      "journal-title": "Chem. Rev. (Washington, D.C.)"
    },
    {
      "key": "2023062604262673100_c71",
      "doi-asserted-by": "publisher",
      "first-page": "16731",
      "DOI": "10.1073/pnas.0707824104",
      "volume": "104",
      "year": "2007",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "2023062604262673100_c72",
      "doi-asserted-by": "publisher",
      "first-page": "5279",
      "DOI": "10.1021/jp7121856",
      "volume": "112",
      "year": "2008",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c73",
      "doi-asserted-by": "publisher",
      "first-page": "1210",
      "DOI": "10.1021/ar900043h",
      "volume": "42",
      "year": "2009",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "2023062604262673100_c74",
      "doi-asserted-by": "publisher",
      "first-page": "124503",
      "DOI": "10.1063/1.2772269",
      "volume": "127",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c75",
      "doi-asserted-by": "publisher",
      "first-page": "6104",
      "DOI": "10.1021/jp902424u",
      "volume": "113",
      "year": "2009",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "2023062604262673100_c76",
      "doi-asserted-by": "publisher",
      "first-page": "1420",
      "DOI": "10.1021/jp953050c",
      "volume": "100",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2023062604262673100_c77",
      "doi-asserted-by": "publisher",
      "first-page": "16410",
      "DOI": "10.1021/jp961317h",
      "volume": "100",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2023062604262673100_c78",
      "doi-asserted-by": "publisher",
      "first-page": "10340",
      "DOI": "10.1021/jp982270y",
      "volume": "102",
      "year": "1998",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "2023062604262673100_c79",
      "doi-asserted-by": "publisher",
      "first-page": "4193",
      "DOI": "10.1021/jp980642x",
      "volume": "102",
      "year": "1998",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c80",
      "doi-asserted-by": "publisher",
      "first-page": "9484",
      "DOI": "10.1021/ja011030k",
      "volume": "123",
      "year": "2001",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2023062604262673100_c81",
      "doi-asserted-by": "publisher",
      "first-page": "041203",
      "DOI": "10.1103/PhysRevE.66.041203",
      "volume": "66",
      "year": "2002",
      "journal-title": "Phys. Rev. E"
    },
    {
      "key": "2023062604262673100_c82",
      "doi-asserted-by": "publisher",
      "first-page": "196",
      "DOI": "10.1063/1.1421366",
      "volume": "116",
      "year": "2002",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c83",
      "doi-asserted-by": "publisher",
      "first-page": "63",
      "DOI": "10.1016/j.molliq.2004.08.004",
      "volume": "117",
      "year": "2005",
      "journal-title": "J. Mol. Liq."
    },
    {
      "key": "2023062604262673100_c84",
      "doi-asserted-by": "publisher",
      "first-page": "094501",
      "DOI": "10.1063/1.1853352",
      "volume": "122",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c85",
      "doi-asserted-by": "publisher",
      "first-page": "094506",
      "DOI": "10.1063/1.2013209",
      "volume": "123",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c86",
      "doi-asserted-by": "publisher",
      "first-page": "164509",
      "DOI": "10.1063/1.2185105",
      "volume": "124",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c87",
      "doi-asserted-by": "publisher",
      "first-page": "234502",
      "DOI": "10.1063/1.2403867",
      "volume": "125",
      "year": "2006",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c88",
      "doi-asserted-by": "publisher",
      "first-page": "8422",
      "DOI": "10.1021/jp056003l",
      "volume": "110",
      "year": "2006",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c89",
      "doi-asserted-by": "publisher",
      "first-page": "209",
      "DOI": "10.1021/jp064659o",
      "volume": "111",
      "year": "2007",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c90",
      "doi-asserted-by": "publisher",
      "first-page": "11167",
      "DOI": "10.1073/pnas.0701699104",
      "volume": "104",
      "year": "2007",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "2023062604262673100_c91",
      "doi-asserted-by": "publisher",
      "first-page": "014507",
      "DOI": "10.1063/1.2397683",
      "volume": "126",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c92",
      "doi-asserted-by": "publisher",
      "first-page": "7697",
      "DOI": "10.1021/jp802033r",
      "volume": "112",
      "year": "2008",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c93",
      "doi-asserted-by": "publisher",
      "first-page": "4470",
      "DOI": "10.1021/jp027230f",
      "volume": "107",
      "year": "2003",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c94",
      "doi-asserted-by": "publisher",
      "first-page": "9674",
      "DOI": "10.1021/jp057544d",
      "volume": "110",
      "year": "2006",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c95",
      "doi-asserted-by": "publisher",
      "first-page": "4141",
      "DOI": "10.1021/jp806782r",
      "volume": "113",
      "year": "2009",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c96",
      "doi-asserted-by": "publisher",
      "first-page": "6782",
      "DOI": "10.1021/jp809782z",
      "volume": "113",
      "year": "2009",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "2023062604262673100_c97",
      "doi-asserted-by": "publisher",
      "first-page": "124504",
      "DOI": "10.1063/1.2979247",
      "volume": "129",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c98",
      "doi-asserted-by": "publisher",
      "first-page": "174505",
      "DOI": "10.1063/1.3124184",
      "volume": "130",
      "year": "2009",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c99",
      "doi-asserted-by": "publisher",
      "first-page": "11237",
      "DOI": "10.1021/jp064846m",
      "volume": "110",
      "year": "2006",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "2023062604262673100_c100",
      "doi-asserted-by": "publisher",
      "first-page": "194512",
      "DOI": "10.1063/1.3006032",
      "volume": "129",
      "year": "2008",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c101",
      "doi-asserted-by": "publisher",
      "first-page": "5144",
      "DOI": "10.1021/jp047395j",
      "volume": "109",
      "year": "2005",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "2023062604262673100_c102",
      "doi-asserted-by": "publisher",
      "first-page": "7486",
      "DOI": "10.1063/1.461374",
      "volume": "95",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c103",
      "doi-asserted-by": "publisher",
      "first-page": "11993",
      "DOI": "10.1021/jp026419o",
      "volume": "106",
      "year": "2002",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "2023062604262673100_c104",
      "doi-asserted-by": "publisher",
      "first-page": "1275",
      "DOI": "10.1021/jp035935r",
      "volume": "108",
      "year": "2004",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "2023062604262673100_c105",
      "doi-asserted-by": "publisher",
      "first-page": "8847",
      "DOI": "10.1063/1.1514652",
      "volume": "117",
      "year": "2002",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c106",
      "doi-asserted-by": "publisher",
      "first-page": "472",
      "DOI": "10.1016/S0009-2614(02)02039-0",
      "volume": "369",
      "year": "2003",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2023062604262673100_c107",
      "doi-asserted-by": "publisher",
      "first-page": "264",
      "DOI": "10.1063/1.1525802",
      "volume": "118",
      "year": "2003",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023062604262673100_c108",
      "doi-asserted-by": "publisher",
      "first-page": "11611",
      "DOI": "10.1073/pnas.0505206102",
      "volume": "102",
      "year": "2005",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "2023062604262673100_c109",
      "doi-asserted-by": "publisher",
      "first-page": "6269",
      "DOI": "10.1021/j100308a038",
      "volume": "91",
      "year": "1987",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2023062604262673100_c110",
      "doi-asserted-by": "publisher",
      "first-page": "3757",
      "DOI": "10.1063/1.466363",
      "volume": "100",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "year": "2005",
      "key": "2023062604262673100_c111"
    },
    {
      "key": "2023062604262673100_c112",
      "doi-asserted-by": "crossref",
      "DOI": "10.1142/1893",
      "volume-title": "Physics Computing 92",
      "author": "Groot",
      "year": "1993"
    },
    {
      "key": "2023062604262673100_c113",
      "first-page": "43",
      "volume": "91",
      "year": "1995",
      "journal-title": "ChemPhysChem"
    },
    {
      "key": "2023062604262673100_c114",
      "doi-asserted-by": "crossref",
      "first-page": "306",
      "DOI": "10.1007/s008940100045",
      "volume": "7",
      "year": "2001",
      "journal-title": "J. Mol. Model."
    },
    {
      "key": "2023062604262673100_c115",
      "doi-asserted-by": "publisher",
      "first-page": "1701",
      "DOI": "10.1002/jcc.20291",
      "volume": "26",
      "year": "2005",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "2023062604262673100_c116",
      "doi-asserted-by": "publisher",
      "first-page": "1157",
      "DOI": "10.1021/cr00019a014",
      "volume": "93",
      "year": "1993",
      "journal-title": "Chem. Rev. (Washington, D.C.)"
    },
    {
      "key": "2023062604262673100_c117",
      "doi-asserted-by": "publisher",
      "first-page": "044513",
      "DOI": "10.1063/1.1961472",
      "volume": "123",
      "year": "2005",
      "journal-title": "J. Chem. Phys."
    },
    {
      "year": "1998",
      "key": "2023062604262673100_c118"
    },
    {
      "key": "2023062604262673100_c119",
      "doi-asserted-by": "publisher",
      "first-page": "204107",
      "DOI": "10.1063/1.2742385",
      "volume": "126",
      "year": "2007",
      "journal-title": "J. Chem. Phys."
    },
    {
      "edition": "73th ed.",
      "volume-title": "Handbook of Chemistry and Physics",
      "year": "1992",
      "key": "2023062604262673100_c120"
    },
    {
      "volume-title": "Densities of Aqueous Solutions of Inorganic Substances",
      "year": "1985",
      "key": "2023062604262673100_c121"
    },
    {
      "volume-title": "Computer Simulation of Liquids",
      "year": "1987",
      "key": "2023062604262673100_c122"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/1.3242083/13372025/144511_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/1.3242083/13372025/144511_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        6,
        26
      ]
    ],
    "date-time": "2023-06-26T04:26:41Z",
    "timestamp": 1687753601000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/131/14/144511/188301/Water-structure-dynamics-and-vibrational"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2009,
        10,
        13
      ]
    ]
  },
  "references-count": 122,
  "journal-issue": {
    "issue": "14",
    "published-print": {
      "date-parts": [
        [
          2009,
          10,
          14
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.3242083",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        2009,
        10,
        14
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        2009,
        10,
        13
      ]
    ]
  },
  "article-number": "144511"
}