skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Journal Article · · Astrophysical Journal; (USA)
DOI:https://doi.org/10.1086/169862· OSTI ID:5732338
;  [1]
  1. 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), Vol. 370; ISSN 0004-637X
Country of Publication:
United States
Language:
English