DOI: 10.1063/1.433799. Variation of chemical shielding with internal coordinates. Applications to diatomic molecules

Variation of chemical shielding with internal coordinates. Applications to diatomic molecules

10.1063/1.433799

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The derivatives of 19F and 13C chemical shielding with respect to internuclear distance in the following diatomic molecules: F2, ClF, and CO, have been obtained from experimentally observed variation of chemical shifts with temperature in the isolated molecules. A general theory for the temperature dependence of chemical shielding in isolated molecules is given. In all three diatomic molecules considered here, (dσ/dR)e was found to be negative.

Bibliography

Jameson, C. J. (1977). Variation of chemical shielding with internal coordinates. Applications to diatomic molecules. The Journal of Chemical Physics, 66(11), 4977â4982.

Authors 1

Cynthia J. Jameson (first)

References 12 Referenced 68

10.1063/1.1732430 / J. Chem. Phys. (1962)
{'key': '2024020915305860200_r2', 'first-page': '1', 'volume': '10', 'year': '1975', 'journal-title': 'NMR Basic Principles Prog.'} / NMR Basic Principles Prog. (1975)
{'key': '2024020915305860200_r3'}
{'key': '2024020915305860200_r4', 'first-page': '218', 'volume': '10', 'year': '1973', 'journal-title': 'J. Magn. Reson.'} / J. Magn. Reson. (1973)
10.1063/1.1749833 / J. Chem. Phys. (1936)
10.1103/RevModPhys.23.90 / Rev. Mod. Phys. (1951)
10.1016/0022-2852(64)90067-0 / J. Mol. Spectrosc. (1964)
10.1080/00268977200102361 / Mol. Phys. (1972)
{'key': '2024020915305860200_r9'}
10.1021/cr60293a005 / Chem. Rev. (1975)
10.1063/1.1670197 / J. Chem. Phys. (1968)
{'key': '2024020915305860200_r12', 'first-page': '378', 'volume': '14', 'year': '1974', 'journal-title': 'J. Magn. Reson.'} / J. Magn. Reson. (1974)

Dates

Type	When
Created	22 years, 6 months ago (Feb. 27, 2003, 5:23 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 11:20 a.m.)
Indexed	1 year, 6 months ago (Feb. 11, 2024, 1:43 a.m.)
Issued	48 years, 3 months ago (June 1, 1977)
Published	48 years, 3 months ago (June 1, 1977)
Published Print	48 years, 3 months ago (June 1, 1977)

Funders 0

None

BibTeX

@article{Jameson_1977, title={Variation of chemical shielding with internal coordinates. Applications to diatomic molecules}, volume={66}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.433799}, DOI={10.1063/1.433799}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Jameson, Cynthia J.}, year={1977}, month=jun, pages={4977–4982} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        2,
        11
      ]
    ],
    "date-time": "2024-02-11T06:43:08Z",
    "timestamp": 1707633788516
  },
  "reference-count": 12,
  "publisher": "AIP Publishing",
  "issue": "11",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1977,
        6,
        1
      ]
    ]
  },
  "abstract": "<jats:p>The derivatives of 19F and 13C chemical shielding with respect to internuclear distance in the following diatomic molecules: F2, ClF, and CO, have been obtained from experimentally observed variation of chemical shifts with temperature in the isolated molecules. A general theory for the temperature dependence of chemical shielding in isolated molecules is given. In all three diatomic molecules considered here, (d\u03c3/dR)e was found to be negative.</jats:p>",
  "DOI": "10.1063/1.433799",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2003,
        2,
        27
      ]
    ],
    "date-time": "2003-02-27T22:23:30Z",
    "timestamp": 1046384610000
  },
  "page": "4977-4982",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 68,
  "title": "Variation of chemical shielding with internal coordinates. Applications to diatomic molecules",
  "prefix": "10.1063",
  "volume": "66",
  "author": [
    {
      "given": "Cynthia J.",
      "family": "Jameson",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of Illinois at Chicago Circle, Chicago, Illinois 60680"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020915305860200_r1",
      "doi-asserted-by": "crossref",
      "first-page": "3096",
      "DOI": "10.1063/1.1732430",
      "volume": "36",
      "year": "1962",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020915305860200_r2",
      "first-page": "1",
      "volume": "10",
      "year": "1975",
      "journal-title": "NMR Basic Principles Prog."
    },
    {
      "key": "2024020915305860200_r3"
    },
    {
      "key": "2024020915305860200_r4",
      "first-page": "218",
      "volume": "10",
      "year": "1973",
      "journal-title": "J. Magn. Reson."
    },
    {
      "key": "2024020915305860200_r5",
      "doi-asserted-by": "crossref",
      "first-page": "260",
      "DOI": "10.1063/1.1749833",
      "volume": "4",
      "year": "1936",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020915305860200_r6",
      "doi-asserted-by": "crossref",
      "first-page": "90",
      "DOI": "10.1103/RevModPhys.23.90",
      "volume": "23",
      "year": "1951",
      "journal-title": "Rev. Mod. Phys."
    },
    {
      "key": "2024020915305860200_r7",
      "doi-asserted-by": "crossref",
      "first-page": "193",
      "DOI": "10.1016/0022-2852(64)90067-0",
      "volume": "13",
      "year": "1964",
      "journal-title": "J. Mol. Spectrosc."
    },
    {
      "key": "2024020915305860200_r8",
      "doi-asserted-by": "crossref",
      "first-page": "1265",
      "DOI": "10.1080/00268977200102361",
      "volume": "24",
      "year": "1972",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2024020915305860200_r9"
    },
    {
      "key": "2024020915305860200_r10",
      "doi-asserted-by": "crossref",
      "first-page": "113",
      "DOI": "10.1021/cr60293a005",
      "volume": "75",
      "year": "1975",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "2024020915305860200_r11",
      "doi-asserted-by": "crossref",
      "first-page": "1094",
      "DOI": "10.1063/1.1670197",
      "volume": "49",
      "year": "1968",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020915305860200_r12",
      "first-page": "378",
      "volume": "14",
      "year": "1974",
      "journal-title": "J. Magn. Reson."
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/66/11/4977/18906867/4977_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/66/11/4977/18906867/4977_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        9
      ]
    ],
    "date-time": "2024-02-09T16:20:51Z",
    "timestamp": 1707495651000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/66/11/4977/775129/Variation-of-chemical-shielding-with-internal"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1977,
        6,
        1
      ]
    ]
  },
  "references-count": 12,
  "journal-issue": {
    "issue": "11",
    "published-print": {
      "date-parts": [
        [
          1977,
          6,
          1
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.433799",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1977,
        6,
        1
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1977,
        6,
        1
      ]
    ]
  }
}