Theoretical vibrations of carbon chains C3, C4, C5, C6, C7, C8, and C9

Joe Kurtz, Ludwik Adamowicz

Research output: Contribution to journalArticle

50 Scopus citations

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 languageEnglish (US)
Pages (from-to)784-790
Number of pages7
JournalAstrophysical Journal
Volume370
Issue number2
DOIs
StatePublished - Apr 1 1991

Keywords

  • Line identifications
  • Molecular processes

ASJC Scopus subject areas

  • Astronomy and Astrophysics
  • Space and Planetary Science

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