Abstract
The MBPT(2) procedure with the 6 - 31G* 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 13C/12C isotopomers. Predictions for C7, C8, and C9 stretching frequencies are calculated by directly scaling the theoretical frequencies with factors derived from the experimental-to-theoretical ratios known for the smaller molecules.
Original language | English (US) |
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Pages (from-to) | 784-790 |
Number of pages | 7 |
Journal | Astrophysical Journal |
Volume | 370 |
Issue number | 2 |
DOIs | |
State | Published - Apr 1 1991 |
Keywords
- Line identifications
- Molecular processes
ASJC Scopus subject areas
- Astronomy and Astrophysics
- Space and Planetary Science