DOI: 10.1063/1.446830. Rotational spectrum and structure of the complex HCNCO2

Rotational spectrum and structure of the complex HCNCO2

10.1063/1.446830

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Radiofrequency and microwave rotational spectra of the complexes HCN CO2 and DCN CO2 have been obtained using molecular beam electric resonance spectroscopy. The spectra are characteristic of prolate asymmetric rotors. The spectroscopic constants obtained are These are shown to be consistent with a C2v structure in which the nitrogen of the HCN bonds to the carbon of the CO2 with a weak bond length of 3.00 Å. The HCN subunit subtends an average angle of 17.4 (2)° with the line joining the centers of mass of the two submolecules, and the average bending vibrational amplitude of the CO2 is 11(1)°. The difference between the average amplitudes of the in-plane and out-of-plane bending vibrations of the HCN is less than 4°. The stretching force constant for the weak bond is 0.049 mdyne/Å in HCNCO2, and the induced dipole moment is 0.361 D.

Bibliography

Leopold, K. R., Fraser, G. T., & Klemperer, W. (1984). Rotational spectrum and structure of the complex HCNCO2. The Journal of Chemical Physics, 80(3), 1039â1046.

Authors 3

K. R. Leopold (first)
G. T. Fraser (additional)
W. Klemperer (additional)

References 31 Referenced 122

10.1063/1.443297 / J. Chem. Phys. (1982)
10.1063/1.442079 / J. Chem. Phys. (1981)
10.1063/1.445175 / J. Chem. Phys. (1983)
10.1063/1.442804 / J. Chem. Phys. (1982)
10.1063/1.442316 / J. Chem. Phys. (1981)
10.1063/1.445179 / J. Chem. Phys. (1983)
10.1063/1.442424 / J. Chem. Phys. (1981)
10.1021/ja00370a007 / J. Am. Chem. Soc. (1982)
10.1063/1.445419 / J. Chem. Phys. (1983)
10.1098/rspa.1980.0121 / Proc. R. Soc. London Ser. A (1980)
10.1016/0009-2614(83)80225-5 / Chem. Phys. Lett. (1983)
10.1063/1.443299 / J. Chem. Phys. (1982)
10.1098/rspa.1980.0030 / Proc. R. Soc. London Ser. A (1980)
10.1063/1.438033 / J. Chem. Phys. (1979)
10.1063/1.441114 / J. Chem. Phys. (1981)
{'key': '2024021000183815700_r16'}
{'key': '2024021000183815700_r17'}
10.1063/1.441115 / J. Chem. Phys. (1981)
10.1063/1.441968 / J. Chem. Phys. (1981)
{'key': '2024021000183815700_r20'}
{'key': '2024021000183815700_r21'}
{'key': '2024021000183815700_r22'}
10.1098/rspa.1982.0081 / Proc. R. Soc. London Ser. A (1982)
10.1063/1.434691 / J. Chem. Phys. (1977)
{'key': '2024021000183815700_r25', 'first-page': '399', 'volume': '58', 'year': '1981', 'journal-title': 'Chem. Phys.'} / Chem. Phys. (1981)
10.1063/1.445172 / J. Chem. Phys. (1983)
{'key': '2024021000183815700_r27'}
10.1063/1.439510 / J. Chem. Phys. (1980)
10.1063/1.1680332 / J. Chem. Phys. (1973)
10.1063/1.441113 / J. Chem. Phys. (1981)
{'key': '2024021000183815700_r31'}

Dates

Type	When
Created	22 years, 5 months ago (Feb. 28, 2003, 12:18 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 8:41 p.m.)
Indexed	1 year ago (Aug. 2, 2024, 4:31 a.m.)
Issued	41 years, 6 months ago (Feb. 1, 1984)
Published	41 years, 6 months ago (Feb. 1, 1984)
Published Print	41 years, 6 months ago (Feb. 1, 1984)

Funders 0

None

BibTeX

@article{Leopold_1984, title={Rotational spectrum and structure of the complex HCNCO2}, volume={80}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.446830}, DOI={10.1063/1.446830}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Leopold, K. R. and Fraser, G. T. and Klemperer, W.}, year={1984}, month=feb, pages={1039–1046} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        8,
        2
      ]
    ],
    "date-time": "2024-08-02T08:31:33Z",
    "timestamp": 1722587493482
  },
  "reference-count": 31,
  "publisher": "AIP Publishing",
  "issue": "3",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1984,
        2,
        1
      ]
    ]
  },
  "abstract": "<jats:p>Radiofrequency and microwave rotational spectra of the complexes HCN CO2 and DCN CO2 have been obtained using molecular beam electric resonance spectroscopy. The spectra are characteristic of prolate asymmetric rotors. The spectroscopic constants obtained are \u2009 \u2009 \u2009 \u2009 \u2009 \u2009 \u2009 \u2009 \u2009 \u2009 These are shown to be consistent with a C2v structure in which the nitrogen of the HCN bonds to the carbon of the CO2 with a weak bond length of 3.00 \u00c5. The HCN subunit subtends an average angle of 17.4 (2)\u00b0 with the line joining the centers of mass of the two submolecules, and the average bending vibrational amplitude of the CO2 is 11(1)\u00b0. The difference between the average amplitudes of the in-plane and out-of-plane bending vibrations of the HCN is less than 4\u00b0. The stretching force constant for the weak bond is 0.049 mdyne/\u00c5 in HCNCO2, and the induced dipole moment is 0.361 D.</jats:p>",
  "DOI": "10.1063/1.446830",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2003,
        2,
        28
      ]
    ],
    "date-time": "2003-02-28T17:18:33Z",
    "timestamp": 1046452713000
  },
  "page": "1039-1046",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 122,
  "title": "Rotational spectrum and structure of the complex HCNCO2",
  "prefix": "10.1063",
  "volume": "80",
  "author": [
    {
      "given": "K. R.",
      "family": "Leopold",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138"
        }
      ]
    },
    {
      "given": "G. T.",
      "family": "Fraser",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138"
        }
      ]
    },
    {
      "given": "W.",
      "family": "Klemperer",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024021000183815700_r1",
      "doi-asserted-by": "crossref",
      "first-page": "2238",
      "DOI": "10.1063/1.443297",
      "volume": "76",
      "year": "1982",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r2",
      "doi-asserted-by": "crossref",
      "first-page": "625",
      "DOI": "10.1063/1.442079",
      "volume": "75",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r3",
      "doi-asserted-by": "crossref",
      "first-page": "3521",
      "DOI": "10.1063/1.445175",
      "volume": "78",
      "year": "1983",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r4",
      "doi-asserted-by": "crossref",
      "first-page": "4857",
      "DOI": "10.1063/1.442804",
      "volume": "76",
      "year": "1982",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r5",
      "doi-asserted-by": "crossref",
      "first-page": "2126",
      "DOI": "10.1063/1.442316",
      "volume": "75",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r6",
      "doi-asserted-by": "crossref",
      "first-page": "3552",
      "DOI": "10.1063/1.445179",
      "volume": "78",
      "year": "1983",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r7",
      "doi-asserted-by": "crossref",
      "first-page": "2681",
      "DOI": "10.1063/1.442424",
      "volume": "75",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r8",
      "doi-asserted-by": "crossref",
      "first-page": "1486",
      "DOI": "10.1021/ja00370a007",
      "volume": "104",
      "year": "1982",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2024021000183815700_r9",
      "doi-asserted-by": "crossref",
      "first-page": "4832",
      "DOI": "10.1063/1.445419",
      "volume": "78",
      "year": "1983",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r10",
      "doi-asserted-by": "crossref",
      "first-page": "441",
      "DOI": "10.1098/rspa.1980.0121",
      "volume": "372",
      "year": "1980",
      "journal-title": "Proc. R. Soc. London Ser. A"
    },
    {
      "key": "2024021000183815700_r11",
      "doi-asserted-by": "crossref",
      "first-page": "369",
      "DOI": "10.1016/0009-2614(83)80225-5",
      "volume": "98",
      "year": "1983",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024021000183815700_r12",
      "doi-asserted-by": "crossref",
      "first-page": "2267",
      "DOI": "10.1063/1.443299",
      "volume": "76",
      "year": "1982",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r13",
      "doi-asserted-by": "crossref",
      "first-page": "213",
      "DOI": "10.1098/rspa.1980.0030",
      "volume": "370",
      "year": "1980",
      "journal-title": "Proc. R. Soc. London Ser. A"
    },
    {
      "key": "2024021000183815700_r14",
      "doi-asserted-by": "crossref",
      "first-page": "4095",
      "DOI": "10.1063/1.438033",
      "volume": "70",
      "year": "1979",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r15",
      "doi-asserted-by": "crossref",
      "first-page": "6544",
      "DOI": "10.1063/1.441114",
      "volume": "74",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r16"
    },
    {
      "key": "2024021000183815700_r17"
    },
    {
      "key": "2024021000183815700_r18",
      "doi-asserted-by": "crossref",
      "first-page": "6550",
      "DOI": "10.1063/1.441115",
      "volume": "74",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r19",
      "doi-asserted-by": "crossref",
      "first-page": "5285",
      "DOI": "10.1063/1.441968",
      "volume": "75",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r20"
    },
    {
      "key": "2024021000183815700_r21"
    },
    {
      "key": "2024021000183815700_r22"
    },
    {
      "key": "2024021000183815700_r23",
      "doi-asserted-by": "crossref",
      "first-page": "419",
      "DOI": "10.1098/rspa.1982.0081",
      "volume": "381",
      "year": "1982",
      "journal-title": "Proc. R. Soc. London Ser. A"
    },
    {
      "key": "2024021000183815700_r24",
      "doi-asserted-by": "crossref",
      "first-page": "5162",
      "DOI": "10.1063/1.434691",
      "volume": "67",
      "year": "1977",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r25",
      "first-page": "399",
      "volume": "58",
      "year": "1981",
      "journal-title": "Chem. Phys."
    },
    {
      "key": "2024021000183815700_r26",
      "doi-asserted-by": "crossref",
      "first-page": "3494",
      "DOI": "10.1063/1.445172",
      "volume": "78",
      "year": "1983",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r27"
    },
    {
      "key": "2024021000183815700_r28",
      "doi-asserted-by": "crossref",
      "first-page": "3070",
      "DOI": "10.1063/1.439510",
      "volume": "72",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r29",
      "doi-asserted-by": "crossref",
      "first-page": "2273",
      "DOI": "10.1063/1.1680332",
      "volume": "59",
      "year": "1973",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r30",
      "doi-asserted-by": "crossref",
      "first-page": "6539",
      "DOI": "10.1063/1.441113",
      "volume": "74",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021000183815700_r31"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/80/3/1039/18945945/1039_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/80/3/1039/18945945/1039_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        10
      ]
    ],
    "date-time": "2024-02-10T01:41:46Z",
    "timestamp": 1707529306000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/80/3/1039/89965/Rotational-spectrum-and-structure-of-the-complex"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1984,
        2,
        1
      ]
    ]
  },
  "references-count": 31,
  "journal-issue": {
    "issue": "3",
    "published-print": {
      "date-parts": [
        [
          1984,
          2,
          1
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.446830",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1984,
        2,
        1
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1984,
        2,
        1
      ]
    ]
  }
}