DOI: 10.1063/1.1673462. Magnetic Properties and Molecular Quadrupole Tensor of the Water Molecule by Beam-Maser Zeeman Spectroscopy

Magnetic Properties and Molecular Quadrupole Tensor of the Water Molecule by Beam-Maser Zeeman Spectroscopy

10.1063/1.1673462

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The hyperfine and Zeeman components of the 3–2–22 and 43–51 transitions of D2O, the 22−21 transition of HDO, and the 6−5−5−1 transition of H2O have been measured with a beam-maser Zeeman spectrometer. This allowed determination of the elements of the magnetic moment tensor Ggg and of the anisotropic part of the magnetic susceptibility tensor (χgg–χAv) for D2O. The best fit results are (for χgg–χAv in 10−8kHZ G−2): Gaa = 0.32530(10), Gbb = 0.36009(22), Gcc = 0.32513(15), χaa–χAv = 3.88(20), χbb–χAv = − 1.66(40), χcc–χAv = − 2.23(30). From these values the elements of the molecular quadrupole moment tensor for D2O have been determined (in 10−26 esu·cm): θaa = 2.72(2), θbb = − 0.32(3), θcc = −2.40(2). The sign of the molecular electric dipole moment and the validity of the isotopic invariance of the electronic charge distribution have been investigated by comparing the molecular magnetic moments of D2O, HDO, and H2O. The obtained experimental values for several one-electron properties are in fair agreement with recent accurate ab initio calculations.

Bibliography

Verhoeven, J., & Dymanus, A. (1970). Magnetic Properties and Molecular Quadrupole Tensor of the Water Molecule by Beam-Maser Zeeman Spectroscopy. The Journal of Chemical Physics, 52(6), 3222â3233.

Authors 2

J. Verhoeven (first)
A. Dymanus (additional)

References 42 Referenced 286

10.1063/1.1725107 / J. Chem. Phys. (1964)
{'key': '2024020906194749500_r2', 'first-page': '214', 'volume': '25A', 'year': '1967', 'journal-title': 'Phys. Letters'} / Phys. Letters (1967)
{'key': '2024020906194749500_r2a', 'first-page': '482', 'volume': '24A', 'year': '1967', 'journal-title': 'Phys. Letters'} / Phys. Letters (1967)
{'key': '2024020906194749500_r2b', 'first-page': '424', 'volume': '26A', 'year': '1968', 'journal-title': 'Phys. Letters'} / Phys. Letters (1968)
{'key': '2024020906194749500_r3', 'first-page': '584', 'volume': '25A', 'year': '1967', 'journal-title': 'Phys. Letters'} / Phys. Letters (1967)
10.1063/1.1671557 / J. Chem. Phys. (1969)
10.1063/1.1670367 / J. Chem. Phys. (1968)
10.1063/1.1670368 / J. Chem. Phys. (1968)
10.1103/PhysRev.90.303 / Phys. Rev. (1953)
{'key': '2024020906194749500_r8'}
10.1063/1.1671623 / J. Chem. Phys. (1969)
10.1063/1.1717169 / Rev. Sci. Instr. (1961)
{'key': '2024020906194749500_r11'}
{'key': '2024020906194749500_r12'}
10.1063/1.1725624 / J. Chem. Phys. (1964)
{'key': '2024020906194749500_r14'}
{'key': '2024020906194749500_r15'}
10.1143/JPSJ.23.404 / J. Phys. Soc. Japan (1967)
{'key': '2024020906194749500_r17'}
{'key': '2024020906194749500_r18'}
{'key': '2024020906194749500_r19'}
{'key': '2024020906194749500_r20'}
10.1063/1.1742731 / J. Chem. Phys. (1956)
{'key': '2024020906194749500_r22'}
{'key': '2024020906194749500_r23'}
{'key': '2024020906194749500_r24'}
{'key': '2024020906194749500_r25'}
10.1063/1.1727959 / J. Chem. Phys. (1966)
{'key': '2024020906194749500_r27', 'first-page': '45', 'volume': '10', 'year': '1967', 'journal-title': 'Natl. Std. Ref. Data Ser., Natl. Bur. Std. (U.S.)'} / Natl. Std. Ref. Data Ser., Natl. Bur. Std. (U.S.) (1967)
10.1063/1.1732974 / J. Chem. Phys. (1962)
10.1063/1.1741879 / J. Chem. Phys. (1955)
{'key': '2024020906194749500_r30', 'first-page': '1506', 'volume': '48', 'year': '1968', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1968)
10.1063/1.1732909 / J. Chem. Phys. (1962)
10.1063/1.1670369 / J. Chem. Phys. (1968)
{'key': '2024020906194749500_r33', 'first-page': 'A960', 'volume': '145', 'year': '1964', 'journal-title': 'Phys. Rev.'} / Phys. Rev. (1964)
10.1063/1.1701306 / J. Chem. Phys. (1962)
10.1063/1.1741950 / J. Chem. Phys. (1955)
10.1063/1.1696734 / J. Chem. Phys. (1965)
{'key': '2024020906194749500_r37'}
10.1063/1.1712326 / J. Chem. Phys. (1967)
{'key': '2024020906194749500_r39', 'first-page': '542', 'volume': 'A200', 'year': '1950', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1950)
10.1038/1781207a0 / Nature (1956)

Dates

Type	When
Created	21 years, 6 months ago (Feb. 6, 2004, 2:23 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 1:45 a.m.)
Indexed	1 year ago (July 22, 2024, 8:35 a.m.)
Issued	55 years, 5 months ago (March 15, 1970)
Published	55 years, 5 months ago (March 15, 1970)
Published Print	55 years, 5 months ago (March 15, 1970)

Funders 0

None

BibTeX

@article{Verhoeven_1970, title={Magnetic Properties and Molecular Quadrupole Tensor of the Water Molecule by Beam-Maser Zeeman Spectroscopy}, volume={52}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1673462}, DOI={10.1063/1.1673462}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Verhoeven, J. and Dymanus, A.}, year={1970}, month=mar, pages={3222–3233} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        7,
        22
      ]
    ],
    "date-time": "2024-07-22T12:35:24Z",
    "timestamp": 1721651724475
  },
  "reference-count": 42,
  "publisher": "AIP Publishing",
  "issue": "6",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1970,
        3,
        15
      ]
    ]
  },
  "abstract": "<jats:p>The hyperfine and Zeeman components of the 3\u20132\u201322 and 43\u201351 transitions of D2O, the 22\u221221 transition of HDO, and the 6\u22125\u22125\u22121 transition of H2O have been measured with a beam-maser Zeeman spectrometer. This allowed determination of the elements of the magnetic moment tensor Ggg and of the anisotropic part of the magnetic susceptibility tensor (\u03c7gg\u2013\u03c7Av) for D2O. The best fit results are (for \u03c7gg\u2013\u03c7Av in 10\u22128kHZ G\u22122): Gaa\u2009=\u20090.32530(10), Gbb\u2009=\u20090.36009(22), Gcc\u2009=\u20090.32513(15), \u03c7aa\u2013\u03c7Av\u2009=\u20093.88(20), \u03c7bb\u2013\u03c7Av\u2009=\u2009\u2212\u20091.66(40), \u03c7cc\u2013\u03c7Av\u2009=\u2009\u2212\u20092.23(30). From these values the elements of the molecular quadrupole moment tensor for D2O have been determined (in 10\u221226 esu\u00b7cm): \u03b8aa\u2009=\u20092.72(2), \u03b8bb\u2009=\u2009\u2212\u20090.32(3), \u03b8cc\u2009=\u2009\u22122.40(2). The sign of the molecular electric dipole moment and the validity of the isotopic invariance of the electronic charge distribution have been investigated by comparing the molecular magnetic moments of D2O, HDO, and H2O. The obtained experimental values for several one-electron properties are in fair agreement with recent accurate ab initio calculations.</jats:p>",
  "DOI": "10.1063/1.1673462",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2004,
        2,
        6
      ]
    ],
    "date-time": "2004-02-06T19:23:06Z",
    "timestamp": 1076095386000
  },
  "page": "3222-3233",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 286,
  "title": "Magnetic Properties and Molecular Quadrupole Tensor of the Water Molecule by Beam-Maser Zeeman Spectroscopy",
  "prefix": "10.1063",
  "volume": "52",
  "author": [
    {
      "given": "J.",
      "family": "Verhoeven",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Fysisch Laboratorium, Katholieke Universiteit, Nijmegen, Netherlands"
        }
      ]
    },
    {
      "given": "A.",
      "family": "Dymanus",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Fysisch Laboratorium, Katholieke Universiteit, Nijmegen, Netherlands"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020906194749500_r1",
      "doi-asserted-by": "crossref",
      "first-page": "257",
      "DOI": "10.1063/1.1725107",
      "volume": "40",
      "year": "1964",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r2",
      "first-page": "214",
      "volume": "25A",
      "year": "1967",
      "journal-title": "Phys. Letters"
    },
    {
      "key": "2024020906194749500_r2a",
      "first-page": "482",
      "volume": "24A",
      "year": "1967",
      "journal-title": "Phys. Letters"
    },
    {
      "key": "2024020906194749500_r2b",
      "first-page": "424",
      "volume": "26A",
      "year": "1968",
      "journal-title": "Phys. Letters"
    },
    {
      "key": "2024020906194749500_r3",
      "first-page": "584",
      "volume": "25A",
      "year": "1967",
      "journal-title": "Phys. Letters"
    },
    {
      "key": "2024020906194749500_r4",
      "doi-asserted-by": "crossref",
      "first-page": "3330",
      "DOI": "10.1063/1.1671557",
      "volume": "50",
      "year": "1969",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r5",
      "doi-asserted-by": "crossref",
      "first-page": "2056",
      "DOI": "10.1063/1.1670367",
      "volume": "49",
      "year": "1968",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r6",
      "doi-asserted-by": "crossref",
      "first-page": "2071",
      "DOI": "10.1063/1.1670368",
      "volume": "49",
      "year": "1968",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r7",
      "doi-asserted-by": "crossref",
      "first-page": "303",
      "DOI": "10.1103/PhysRev.90.303",
      "volume": "90",
      "year": "1953",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2024020906194749500_r8"
    },
    {
      "key": "2024020906194749500_r9",
      "doi-asserted-by": "crossref",
      "first-page": "3751",
      "DOI": "10.1063/1.1671623",
      "volume": "50",
      "year": "1969",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r10",
      "doi-asserted-by": "crossref",
      "first-page": "1083",
      "DOI": "10.1063/1.1717169",
      "volume": "32",
      "year": "1961",
      "journal-title": "Rev. Sci. Instr."
    },
    {
      "key": "2024020906194749500_r11"
    },
    {
      "key": "2024020906194749500_r12"
    },
    {
      "key": "2024020906194749500_r13",
      "doi-asserted-by": "crossref",
      "first-page": "206",
      "DOI": "10.1063/1.1725624",
      "volume": "41",
      "year": "1964",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r14"
    },
    {
      "key": "2024020906194749500_r15"
    },
    {
      "key": "2024020906194749500_r16",
      "doi-asserted-by": "crossref",
      "first-page": "404",
      "DOI": "10.1143/JPSJ.23.404",
      "volume": "23",
      "year": "1967",
      "journal-title": "J. Phys. Soc. Japan"
    },
    {
      "key": "2024020906194749500_r17"
    },
    {
      "key": "2024020906194749500_r18"
    },
    {
      "key": "2024020906194749500_r19"
    },
    {
      "key": "2024020906194749500_r20"
    },
    {
      "key": "2024020906194749500_r21",
      "doi-asserted-by": "crossref",
      "first-page": "1139",
      "DOI": "10.1063/1.1742731",
      "volume": "24",
      "year": "1956",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r22"
    },
    {
      "key": "2024020906194749500_r23"
    },
    {
      "key": "2024020906194749500_r24"
    },
    {
      "key": "2024020906194749500_r25"
    },
    {
      "key": "2024020906194749500_r26",
      "doi-asserted-by": "crossref",
      "first-page": "2439",
      "DOI": "10.1063/1.1727959",
      "volume": "45",
      "year": "1966",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r27",
      "first-page": "45",
      "volume": "10",
      "year": "1967",
      "journal-title": "Natl. Std. Ref. Data Ser., Natl. Bur. Std. (U.S.)"
    },
    {
      "key": "2024020906194749500_r28",
      "doi-asserted-by": "crossref",
      "first-page": "53",
      "DOI": "10.1063/1.1732974",
      "volume": "37",
      "year": "1962",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r29",
      "doi-asserted-by": "crossref",
      "first-page": "2348",
      "DOI": "10.1063/1.1741879",
      "volume": "23",
      "year": "1955",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r30",
      "first-page": "1506",
      "volume": "48",
      "year": "1968",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r31",
      "doi-asserted-by": "crossref",
      "first-page": "2460",
      "DOI": "10.1063/1.1732909",
      "volume": "36",
      "year": "1962",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r32",
      "doi-asserted-by": "crossref",
      "first-page": "2081",
      "DOI": "10.1063/1.1670369",
      "volume": "49",
      "year": "1968",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r33",
      "first-page": "A960",
      "volume": "145",
      "year": "1964",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2024020906194749500_r34",
      "doi-asserted-by": "crossref",
      "first-page": "214",
      "DOI": "10.1063/1.1701306",
      "volume": "37",
      "year": "1962",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r35",
      "doi-asserted-by": "crossref",
      "first-page": "253",
      "DOI": "10.1063/1.1741950",
      "volume": "23",
      "year": "1955",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r36",
      "doi-asserted-by": "crossref",
      "first-page": "4531",
      "DOI": "10.1063/1.1696734",
      "volume": "43",
      "year": "1965",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r37"
    },
    {
      "key": "2024020906194749500_r38",
      "doi-asserted-by": "crossref",
      "first-page": "2990",
      "DOI": "10.1063/1.1712326",
      "volume": "47",
      "year": "1967",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020906194749500_r39",
      "first-page": "542",
      "volume": "A200",
      "year": "1950",
      "journal-title": "Proc. Roy. Soc. (London)"
    },
    {
      "key": "2024020906194749500_r39a",
      "doi-asserted-by": "crossref",
      "first-page": "1207",
      "DOI": "10.1038/1781207a0",
      "volume": "178",
      "year": "1956",
      "journal-title": "Nature"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/52/6/3222/18867504/3222_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/52/6/3222/18867504/3222_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        9
      ]
    ],
    "date-time": "2024-02-09T06:45:55Z",
    "timestamp": 1707461155000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/52/6/3222/771846/Magnetic-Properties-and-Molecular-Quadrupole"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1970,
        3,
        15
      ]
    ]
  },
  "references-count": 42,
  "journal-issue": {
    "issue": "6",
    "published-print": {
      "date-parts": [
        [
          1970,
          3,
          15
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.1673462",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1970,
        3,
        15
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1970,
        3,
        15
      ]
    ]
  }
}