DOI: 10.1063/1.465291. Selectively breaking either bond in the bimolecular reaction of HOD with hydrogen atoms

Selectively breaking either bond in the bimolecular reaction of HOD with hydrogen atoms

10.1063/1.465291

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We have determined the branching ratio for the reaction of hydrogen atoms and HOD with either the O–H bond excited or the O–D bond excited. In both cases, the initially excited bond reacts preferentially. Excitation of the third O–H stretching overtone, 4νOH, favors breaking the O–H bond by a factor of ∼200, and excitation of the fourth O–D stretching overtone, 5νOD, favors breaking the O–D bond by a factor of ∼220. Thus vibrational excitation can control the H+HOD reaction to produce either product almost exclusively. A simple model using the calculated wave function for each state and the measured reaction cross section for a particular vibrational excitation predicts the high selectivity observed for the two reactions.

Bibliography

Metz, R. B., Thoemke, J. D., Pfeiffer, J. M., & Crim, F. F. (1993). Selectively breaking either bond in the bimolecular reaction of HOD with hydrogen atoms. The Journal of Chemical Physics, 99(3), 1744â1751.

Authors 4

Ricardo B. Metz (first)
John D. Thoemke (additional)
Joann M. Pfeiffer (additional)
F. Fleming Crim (additional)

References 36 Referenced 115

{'key': '2024021022472239400_r1'}
10.1063/1.458312 / J. Chem. Phys. (1990)
{'key': '2024021022472239400_r3'}
10.1063/1.460578 / J. Chem. Phys. (1991)
{'key': '2024021022472239400_r5', 'first-page': '372', 'volume': '96', 'year': '1992', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1992)
10.1063/1.461243 / J. Chem. Phys. (1991)
10.1021/j100112a021 / J. Phys. Chem. (1993)
10.1021/j100112a022 / J. Phys. Chem. (1993)
10.1021/j100374a005 / J. Phys. Chem. (1990)
{'key': '2024021022472239400_r8', 'first-page': '504', 'volume': '21', 'year': '1992', 'journal-title': 'J. Phys. Chem. Ref. Data'} / J. Phys. Chem. Ref. Data (1992)
10.1063/1.456122 / J. Chem. Phys. (1989)
10.1063/1.435379 / J. Chem. Phys. (1977)
10.1063/1.439383 / J. Chem. Phys. (1980)
10.1021/j100174a046 / J. Phys. Chem. (1991)
10.1016/0301-0104(82)85061-1 / Chem. Phys. (1982)
10.1063/1.443804 / J. Chem. Phys. (1982)
10.1016/0022-2852(92)90468-4 / J. Mol. Spectrosc. (1992)
10.1063/1.458071 / J. Chem. Phys. (1990)
10.1063/1.453824 / J. Chem. Phys. (1988)
{'key': '2024021022472239400_r16'}
10.1364/AO.26.004058 / Appl. Opt. (1987)
10.1016/0022-4073(62)90061-4 / J. Quant. Spectrosc. Rad. Trans. (1962)
10.1016/0022-2852(73)90031-3 / J. Mol. Spectrosc. (1973)
10.1016/0009-2614(92)85423-8 / Chem. Phys. Lett. (1992)
10.1016/0009-2614(80)85193-1 / Chem. Phys. Lett. (1980)
10.1016/0009-2614(92)85840-7 / Chem. Phys. Lett. (1992)
{'key': '2024021022472239400_r22'}
{'key': '2024021022472239400_r23', 'first-page': '7852', 'volume': '96', 'year': '1993', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1993)
10.1063/1.464817 / J. Chem. Phys. (1993)
10.1098/rsta.1990.0113 / Philos. Trans. R. Soc. London (1990)
{'key': '2024021022472239400_r26'}
10.1021/ar00110a003 / Acc. Chem. Res. (1985)
{'key': '2024021022472239400_r27a', 'first-page': '1', 'volume': '57', 'year': '1984', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. (1984)
{'key': '2024021022472239400_r28'}
10.1063/1.436667 / J. Chem. Phys. (1978)
{'key': '2024021022472239400_r30'}

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:22 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 5:47 p.m.)
Indexed	1 year, 2 months ago (June 19, 2024, 6:33 a.m.)
Issued	32 years, 1 month ago (Aug. 1, 1993)
Published	32 years, 1 month ago (Aug. 1, 1993)
Published Print	32 years, 1 month ago (Aug. 1, 1993)

Funders 0

None

BibTeX

@article{Metz_1993, title={Selectively breaking either bond in the bimolecular reaction of HOD with hydrogen atoms}, volume={99}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.465291}, DOI={10.1063/1.465291}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Metz, Ricardo B. and Thoemke, John D. and Pfeiffer, Joann M. and Crim, F. Fleming}, year={1993}, month=aug, pages={1744–1751} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        6,
        19
      ]
    ],
    "date-time": "2024-06-19T10:33:34Z",
    "timestamp": 1718793214897
  },
  "reference-count": 36,
  "publisher": "AIP Publishing",
  "issue": "3",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1993,
        8,
        1
      ]
    ]
  },
  "abstract": "<jats:p>We have determined the branching ratio for the reaction of hydrogen atoms and HOD with either the O\u2013H bond excited or the O\u2013D bond excited. In both cases, the initially excited bond reacts preferentially. Excitation of the third O\u2013H stretching overtone, 4\u03bdOH, favors breaking the O\u2013H bond by a factor of \u223c200, and excitation of the fourth O\u2013D stretching overtone, 5\u03bdOD, favors breaking the O\u2013D bond by a factor of \u223c220. Thus vibrational excitation can control the H+HOD reaction to produce either product almost exclusively. A simple model using the calculated wave function for each state and the measured reaction cross section for a particular vibrational excitation predicts the high selectivity observed for the two reactions.</jats:p>",
  "DOI": "10.1063/1.465291",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T12:22:43Z",
    "timestamp": 1027686163000
  },
  "page": "1744-1751",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 115,
  "title": "Selectively breaking either bond in the bimolecular reaction of HOD with hydrogen atoms",
  "prefix": "10.1063",
  "volume": "99",
  "author": [
    {
      "given": "Ricardo B.",
      "family": "Metz",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706"
        }
      ]
    },
    {
      "given": "John D.",
      "family": "Thoemke",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706"
        }
      ]
    },
    {
      "given": "Joann M.",
      "family": "Pfeiffer",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706"
        }
      ]
    },
    {
      "given": "F. Fleming",
      "family": "Crim",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024021022472239400_r1"
    },
    {
      "key": "2024021022472239400_r2",
      "doi-asserted-by": "crossref",
      "first-page": "6333",
      "DOI": "10.1063/1.458312",
      "volume": "92",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r3"
    },
    {
      "key": "2024021022472239400_r4",
      "doi-asserted-by": "crossref",
      "first-page": "4928",
      "DOI": "10.1063/1.460578",
      "volume": "94",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r5",
      "first-page": "372",
      "volume": "96",
      "year": "1992",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r6",
      "doi-asserted-by": "crossref",
      "first-page": "8647",
      "DOI": "10.1063/1.461243",
      "volume": "95",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r6a",
      "doi-asserted-by": "crossref",
      "first-page": "2194",
      "DOI": "10.1021/j100112a021",
      "volume": "97",
      "year": "1993",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021022472239400_r6b",
      "doi-asserted-by": "crossref",
      "first-page": "2204",
      "DOI": "10.1021/j100112a022",
      "volume": "97",
      "year": "1993",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021022472239400_r7",
      "doi-asserted-by": "crossref",
      "first-page": "4391",
      "DOI": "10.1021/j100374a005",
      "volume": "94",
      "year": "1990",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021022472239400_r8",
      "first-page": "504",
      "volume": "21",
      "year": "1992",
      "journal-title": "J. Phys. Chem. Ref. Data"
    },
    {
      "key": "2024021022472239400_r9",
      "doi-asserted-by": "crossref",
      "first-page": "977",
      "DOI": "10.1063/1.456122",
      "volume": "90",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r9a",
      "doi-asserted-by": "crossref",
      "first-page": "4053",
      "DOI": "10.1063/1.435379",
      "volume": "67",
      "year": "1977",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r9b",
      "doi-asserted-by": "crossref",
      "first-page": "2397",
      "DOI": "10.1063/1.439383",
      "volume": "72",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r10",
      "doi-asserted-by": "crossref",
      "first-page": "8263",
      "DOI": "10.1021/j100174a046",
      "volume": "95",
      "year": "1991",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021022472239400_r11",
      "doi-asserted-by": "crossref",
      "first-page": "113",
      "DOI": "10.1016/0301-0104(82)85061-1",
      "volume": "65",
      "year": "1982",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2024021022472239400_r12",
      "doi-asserted-by": "crossref",
      "first-page": "5450",
      "DOI": "10.1063/1.443804",
      "volume": "77",
      "year": "1982",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r13",
      "doi-asserted-by": "crossref",
      "first-page": "197",
      "DOI": "10.1016/0022-2852(92)90468-4",
      "volume": "153",
      "year": "1992",
      "journal-title": "J. Mol. Spectrosc."
    },
    {
      "key": "2024021022472239400_r14",
      "doi-asserted-by": "crossref",
      "first-page": "1893",
      "DOI": "10.1063/1.458071",
      "volume": "92",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r15",
      "doi-asserted-by": "crossref",
      "first-page": "4171",
      "DOI": "10.1063/1.453824",
      "volume": "88",
      "year": "1988",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r16"
    },
    {
      "key": "2024021022472239400_r16a",
      "doi-asserted-by": "crossref",
      "first-page": "4058",
      "DOI": "10.1364/AO.26.004058",
      "volume": "26",
      "year": "1987",
      "journal-title": "Appl. Opt."
    },
    {
      "key": "2024021022472239400_r17",
      "doi-asserted-by": "crossref",
      "first-page": "97",
      "DOI": "10.1016/0022-4073(62)90061-4",
      "volume": "2",
      "year": "1962",
      "journal-title": "J. Quant. Spectrosc. Rad. Trans."
    },
    {
      "key": "2024021022472239400_r18",
      "doi-asserted-by": "crossref",
      "first-page": "146",
      "DOI": "10.1016/0022-2852(73)90031-3",
      "volume": "46",
      "year": "1973",
      "journal-title": "J. Mol. Spectrosc."
    },
    {
      "key": "2024021022472239400_r19",
      "doi-asserted-by": "crossref",
      "first-page": "34",
      "DOI": "10.1016/0009-2614(92)85423-8",
      "volume": "192",
      "year": "1992",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024021022472239400_r20",
      "doi-asserted-by": "crossref",
      "first-page": "21",
      "DOI": "10.1016/0009-2614(80)85193-1",
      "volume": "73",
      "year": "1980",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024021022472239400_r21",
      "doi-asserted-by": "crossref",
      "first-page": "507",
      "DOI": "10.1016/0009-2614(92)85840-7",
      "volume": "193",
      "year": "1992",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024021022472239400_r22"
    },
    {
      "key": "2024021022472239400_r23",
      "first-page": "7852",
      "volume": "96",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r24",
      "doi-asserted-by": "crossref",
      "first-page": "6235",
      "DOI": "10.1063/1.464817",
      "volume": "98",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r25",
      "doi-asserted-by": "crossref",
      "first-page": "259",
      "DOI": "10.1098/rsta.1990.0113",
      "volume": "332",
      "year": "1990",
      "journal-title": "Philos. Trans. R. Soc. London"
    },
    {
      "key": "2024021022472239400_r26"
    },
    {
      "key": "2024021022472239400_r27",
      "doi-asserted-by": "crossref",
      "first-page": "45",
      "DOI": "10.1021/ar00110a003",
      "volume": "18",
      "year": "1985",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "2024021022472239400_r27a",
      "first-page": "1",
      "volume": "57",
      "year": "1984",
      "journal-title": "Adv. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r28"
    },
    {
      "key": "2024021022472239400_r29",
      "doi-asserted-by": "crossref",
      "first-page": "1282",
      "DOI": "10.1063/1.436667",
      "volume": "69",
      "year": "1978",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021022472239400_r30"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/99/3/1744/19042665/1744_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/99/3/1744/19042665/1744_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        10
      ]
    ],
    "date-time": "2024-02-10T22:47:36Z",
    "timestamp": 1707605256000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/99/3/1744/949233/Selectively-breaking-either-bond-in-the"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1993,
        8,
        1
      ]
    ]
  },
  "references-count": 36,
  "journal-issue": {
    "issue": "3",
    "published-print": {
      "date-parts": [
        [
          1993,
          8,
          1
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.465291",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1993,
        8,
        1
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1993,
        8,
        1
      ]
    ]
  }
}