Theoretical vibrations of carbon chains C3, C4, C5, C6, C7, C8, and C9
Journal Article
·
· Astrophysical Journal; (USA)
- NASA, Greenbelt, MD (USA) Arizona Univ., Tucson (USA)
The MBPT (2) procedure with the 6-31g (asterisk) basis set was used to study nearly linear carbon chains. The theoretical vibrational frequencies of the molecules C3 through C9 are presented and, for C3 through C6, compared to experimental stretching frequencies and their (C-13)/(C-12) isotopomers. Predictions for C7, C8, and C9 stretching frequencies are calculated by directly scaling the theoretical frequencies with factors derived from experimental-to-theoretical ratios known for the smaller molecules. 28 refs.
- Research Organization:
- National Aeronautics and Space Administration, Greenbelt, MD (USA). Goddard Space Flight Center
- OSTI ID:
- 5732338
- Journal Information:
- Astrophysical Journal; (USA), Journal Name: Astrophysical Journal; (USA) Vol. 370; ISSN ASJOA; ISSN 0004-637X
- Country of Publication:
- United States
- Language:
- English
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Thu Mar 14 23:00:00 EST 1991
· FASEB Journal (Federation of American Societies for Experimental Biology); (United States)
·
OSTI ID:5148179