DOI: 10.1063/1.1680942. New experimental tests of existing interpretations of electronic transitions of ethylene

New experimental tests of existing interpretations of electronic transitions of ethylene

10.1063/1.1680942

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The absorption spectra of the gases ethylene-d0, d1, 1,1-d2, cis-d2, trans-d2, d3, and d4 have been photographed using the first order of a 21-ft vacuum spectrograph. Analyses of both the Rydberg system at 1750 Å and the π*-π system between 1500 and 2100 Å have been extended. Band contour analysis has confirmed the assignment of the Rydberg system as 1B3u-1Ag. The resulting rotational constants of the 42 level of the excited state of C2D4 lead to an inertial defect indicative of a nonplanar molecule. Assuming point group D2, we have combined the constants with Franck-Condon calculations in a complete structure determination for the 42 level of the Rydberg state: rCC = 1.41 Å, rCH = 1.08 Å, [right parenthesis lessthan] HCH = 124.4° and an azimuthal angle of 37°. Linewidths in the successful simulation of the C2D4 0–0 band indicate a lifetime greater than 10−13 sec for molecules in the zero level of the Rydberg state. For the π*-π system, all observed bands for all molecules studied have been assigned. Most striking is the relative inactivity of the C–C stretching vibration; except in C2D4, only the torsional mode is active. It is concluded that rCC for the π*-π state is not very different than it is for the Rydberg state. Finally, the extrapolation to the (unobserved) origin of the π*-π system is revised to give 5.5 eV (2285 Å).

Bibliography

Foo, P. D., & Innes, K. K. (1974). New experimental tests of existing interpretations of electronic transitions of ethylene. The Journal of Chemical Physics, 60(11), 4582â4589.

Authors 2

P. D. Foo (first)
K. K. Innes (additional)

References 30 Referenced 90

10.1139/p69-218 / Can. J. Phys. (1969)
10.1016/0022-2852(69)90259-8 / J. Mol. Spectry. (1969)
10.1021/cr60261a003 / Chem. Revs. (1969)
{'key': '2024020911554062200_r4', 'first-page': '131', 'volume': '50', 'year': '1969', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1969)
10.1016/0009-2614(72)80311-7 / Chem. Phys. Lett. (1972)
10.1063/1.1712111 / J. Chem. Phys. (1967)
10.1063/1.1671274 / J. Chem. Phys. (1969)
10.1063/1.1740601 / J. Chem. Phys. (1955)
10.1016/0022-2852(61)90232-6 / J. Mol. Spectry. (1961)
10.1063/1.1676816 / J. Chem. Phys. (1971)
10.1016/0022-2852(65)90001-9 / J. Mol. Spectry. (1965)
10.1364/AO.5.001111 / Appl. Opt. (1966)
{'key': '2024020911554062200_r10'}
{'key': '2024020911554062200_r11', 'first-page': '341', 'volume': '20', 'year': '1971', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. (1971)
10.1016/0022-2852(72)90223-8 / J. Mol. Spectry. (1972)
10.1016/0022-2852(73)90154-9 / J. Mol. Spectry. (1973)
10.1016/0022-2852(62)90029-2 / J. Mol. Spectry. (1962)
10.1016/0022-2852(72)90082-3 / J. Mol. Spectry. (1972)
10.1016/0022-2852(73)90097-0 / J. Mol. Spectry. (1973)
10.1021/j100652a007 / J. Phys. Chem. (1972)
10.1007/BF01392430 / Z. Phys. (1969)
10.1063/1.1668178 / J. Chem. Phys. (1968)
10.1016/0020-7381(70)87014-0 / J. Mass Spectry. Ion Phys. (1970)
{'key': '2024020911554062200_r19'}
10.1063/1.1680154 / J. Chem. Phys. (1973)
{'key': '2024020911554062200_r21'}
10.1016/0009-2614(71)80533-X / Chem. Phys. Lett. (1971)
10.1016/0009-2614(72)80143-X / Chem. Phys. Lett. (1972)
10.1063/1.1679571 / J. Chem. Phys. (1973)
10.1007/BF01046368 / Theoret. Chim. Acta (1972)

Dates

Type	When
Created	21 years, 6 months ago (Feb. 6, 2004, 4:10 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 7:48 a.m.)
Indexed	11 months, 1 week ago (Sept. 25, 2024, 7:12 a.m.)
Issued	51 years, 3 months ago (June 1, 1974)
Published	51 years, 3 months ago (June 1, 1974)
Published Print	51 years, 3 months ago (June 1, 1974)

Funders 0

None

BibTeX

@article{Foo_1974, title={New experimental tests of existing interpretations of electronic transitions of ethylene}, volume={60}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1680942}, DOI={10.1063/1.1680942}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Foo, P. D. and Innes, K. K.}, year={1974}, month=jun, pages={4582–4589} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        9,
        25
      ]
    ],
    "date-time": "2024-09-25T11:12:28Z",
    "timestamp": 1727262748016
  },
  "reference-count": 30,
  "publisher": "AIP Publishing",
  "issue": "11",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1974,
        6,
        1
      ]
    ]
  },
  "abstract": "<jats:p>The absorption spectra of the gases ethylene-d0, d1, 1,1-d2, cis-d2, trans-d2, d3, and d4 have been photographed using the first order of a 21-ft vacuum spectrograph. Analyses of both the Rydberg system at 1750 \u00c5 and the \u03c0*-\u03c0 system between 1500 and 2100 \u00c5 have been extended. Band contour analysis has confirmed the assignment of the Rydberg system as 1B3u-1Ag. The resulting rotational constants of the 42 level of the excited state of C2D4 lead to an inertial defect indicative of a nonplanar molecule. Assuming point group D2, we have combined the constants with Franck-Condon calculations in a complete structure determination for the 42 level of the Rydberg state: rCC = 1.41 \u00c5, rCH = 1.08 \u00c5, [right parenthesis lessthan] HCH = 124.4\u00b0 and an azimuthal angle of 37\u00b0. Linewidths in the successful simulation of the C2D4 0\u20130 band indicate a lifetime greater than 10\u221213 sec for molecules in the zero level of the Rydberg state. For the \u03c0*-\u03c0 system, all observed bands for all molecules studied have been assigned. Most striking is the relative inactivity of the C\u2013C stretching vibration; except in C2D4, only the torsional mode is active. It is concluded that rCC for the \u03c0*-\u03c0 state is not very different than it is for the Rydberg state. Finally, the extrapolation to the (unobserved) origin of the \u03c0*-\u03c0 system is revised to give 5.5 eV (2285 \u00c5).</jats:p>",
  "DOI": "10.1063/1.1680942",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2004,
        2,
        6
      ]
    ],
    "date-time": "2004-02-06T21:10:00Z",
    "timestamp": 1076101800000
  },
  "page": "4582-4589",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 90,
  "title": "New experimental tests of existing interpretations of electronic transitions of ethylene",
  "prefix": "10.1063",
  "volume": "60",
  "author": [
    {
      "given": "P. D.",
      "family": "Foo",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry, State University of New York, Binghamton, New York 13901"
        }
      ]
    },
    {
      "given": "K. K.",
      "family": "Innes",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, State University of New York, Binghamton, New York 13901"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020911554062200_r1",
      "doi-asserted-by": "crossref",
      "first-page": "1731",
      "DOI": "10.1139/p69-218",
      "volume": "47",
      "year": "1969",
      "journal-title": "Can. J. Phys."
    },
    {
      "key": "2024020911554062200_r2",
      "doi-asserted-by": "crossref",
      "first-page": "232",
      "DOI": "10.1016/0022-2852(69)90259-8",
      "volume": "30",
      "year": "1969",
      "journal-title": "J. Mol. Spectry."
    },
    {
      "key": "2024020911554062200_r3",
      "doi-asserted-by": "crossref",
      "first-page": "639",
      "DOI": "10.1021/cr60261a003",
      "volume": "69",
      "year": "1969",
      "journal-title": "Chem. Revs."
    },
    {
      "key": "2024020911554062200_r4",
      "first-page": "131",
      "volume": "50",
      "year": "1969",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020911554062200_r4a",
      "doi-asserted-by": "crossref",
      "first-page": "7",
      "DOI": "10.1016/0009-2614(72)80311-7",
      "volume": "17",
      "year": "1972",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024020911554062200_r5",
      "doi-asserted-by": "crossref",
      "first-page": "1517",
      "DOI": "10.1063/1.1712111",
      "volume": "47",
      "year": "1967",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020911554062200_r5a",
      "doi-asserted-by": "crossref",
      "first-page": "1794",
      "DOI": "10.1063/1.1671274",
      "volume": "50",
      "year": "1969",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020911554062200_r6",
      "doi-asserted-by": "crossref",
      "first-page": "1895",
      "DOI": "10.1063/1.1740601",
      "volume": "23",
      "year": "1955",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020911554062200_r6a",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/0022-2852(61)90232-6",
      "volume": "6",
      "year": "1961",
      "journal-title": "J. Mol. Spectry."
    },
    {
      "key": "2024020911554062200_r7",
      "doi-asserted-by": "crossref",
      "first-page": "4669",
      "DOI": "10.1063/1.1676816",
      "volume": "55",
      "year": "1971",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020911554062200_r8",
      "doi-asserted-by": "crossref",
      "first-page": "407",
      "DOI": "10.1016/0022-2852(65)90001-9",
      "volume": "15",
      "year": "1965",
      "journal-title": "J. Mol. Spectry."
    },
    {
      "key": "2024020911554062200_r9",
      "doi-asserted-by": "crossref",
      "first-page": "1111",
      "DOI": "10.1364/AO.5.001111",
      "volume": "5",
      "year": "1966",
      "journal-title": "Appl. Opt."
    },
    {
      "key": "2024020911554062200_r10"
    },
    {
      "key": "2024020911554062200_r11",
      "first-page": "341",
      "volume": "20",
      "year": "1971",
      "journal-title": "Adv. Chem. Phys."
    },
    {
      "key": "2024020911554062200_r12",
      "doi-asserted-by": "crossref",
      "first-page": "463",
      "DOI": "10.1016/0022-2852(72)90223-8",
      "volume": "42",
      "year": "1972",
      "journal-title": "J. Mol. Spectry."
    },
    {
      "key": "2024020911554062200_r13",
      "doi-asserted-by": "crossref",
      "first-page": "221",
      "DOI": "10.1016/0022-2852(73)90154-9",
      "volume": "45",
      "year": "1973",
      "journal-title": "J. Mol. Spectry."
    },
    {
      "key": "2024020911554062200_r14",
      "doi-asserted-by": "crossref",
      "first-page": "285",
      "DOI": "10.1016/0022-2852(62)90029-2",
      "volume": "8",
      "year": "1962",
      "journal-title": "J. Mol. Spectry."
    },
    {
      "key": "2024020911554062200_r15",
      "doi-asserted-by": "crossref",
      "first-page": "251",
      "DOI": "10.1016/0022-2852(72)90082-3",
      "volume": "42",
      "year": "1972",
      "journal-title": "J. Mol. Spectry."
    },
    {
      "key": "2024020911554062200_r16",
      "doi-asserted-by": "crossref",
      "first-page": "499",
      "DOI": "10.1016/0022-2852(73)90097-0",
      "volume": "47",
      "year": "1973",
      "journal-title": "J. Mol. Spectry."
    },
    {
      "key": "2024020911554062200_r17",
      "doi-asserted-by": "crossref",
      "first-page": "1130",
      "DOI": "10.1021/j100652a007",
      "volume": "76",
      "year": "1972",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024020911554062200_r17a",
      "doi-asserted-by": "crossref",
      "first-page": "16",
      "DOI": "10.1007/BF01392430",
      "volume": "228",
      "year": "1969",
      "journal-title": "Z. Phys."
    },
    {
      "key": "2024020911554062200_r18",
      "doi-asserted-by": "crossref",
      "first-page": "5066",
      "DOI": "10.1063/1.1668178",
      "volume": "48",
      "year": "1968",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020911554062200_r18a",
      "doi-asserted-by": "crossref",
      "first-page": "163",
      "DOI": "10.1016/0020-7381(70)87014-0",
      "volume": "5",
      "year": "1970",
      "journal-title": "J. Mass Spectry. Ion Phys."
    },
    {
      "key": "2024020911554062200_r19"
    },
    {
      "key": "2024020911554062200_r20",
      "doi-asserted-by": "crossref",
      "first-page": "1092",
      "DOI": "10.1063/1.1680154",
      "volume": "59",
      "year": "1973",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020911554062200_r21"
    },
    {
      "key": "2024020911554062200_r22",
      "doi-asserted-by": "crossref",
      "first-page": "65",
      "DOI": "10.1016/0009-2614(71)80533-X",
      "volume": "11",
      "year": "1971",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024020911554062200_r23",
      "doi-asserted-by": "crossref",
      "first-page": "171",
      "DOI": "10.1016/0009-2614(72)80143-X",
      "volume": "15",
      "year": "1972",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024020911554062200_r24",
      "doi-asserted-by": "crossref",
      "first-page": "2699",
      "DOI": "10.1063/1.1679571",
      "volume": "58",
      "year": "1973",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020911554062200_r25",
      "doi-asserted-by": "crossref",
      "first-page": "243",
      "DOI": "10.1007/BF01046368",
      "volume": "27",
      "year": "1972",
      "journal-title": "Theoret. Chim. Acta"
    }
  ],
  "updated-by": [
    {
      "updated": {
        "date-parts": [
          [
            2003,
            8,
            22
          ]
        ],
        "date-time": "2003-08-22T00:00:00Z",
        "timestamp": 1061510400000
      },
      "DOI": "10.1063/1.1682589",
      "type": "correction",
      "source": "publisher",
      "label": "Correction"
    },
    {
      "updated": {
        "date-parts": [
          [
            1974,
            11,
            1
          ]
        ],
        "date-time": "1974-11-01T00:00:00Z",
        "timestamp": 152496000000
      },
      "DOI": "10.1063/1.1682589",
      "type": "correction",
      "source": "publisher",
      "label": "Correction"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/60/11/4582/18891687/4582_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/60/11/4582/18891687/4582_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        9
      ]
    ],
    "date-time": "2024-02-09T12:48:37Z",
    "timestamp": 1707482917000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/60/11/4582/774442/New-experimental-tests-of-existing-interpretations"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1974,
        6,
        1
      ]
    ]
  },
  "references-count": 30,
  "journal-issue": {
    "issue": "11",
    "published-print": {
      "date-parts": [
        [
          1974,
          6,
          1
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.1680942",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1974,
        6,
        1
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1974,
        6,
        1
      ]
    ]
  }
}