THEORETICAL VIBRATIONS OF CARBON CHAIN-C3, CHAIN-C4, CHAIN-C5, CHAIN-C6, CHAIN-C7, CHAIN-C8, AND CHAIN-C9

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 C-9 are presented and, for C3 through C6, compared to experimental stretching frequencies and their C-13/C-12 isotopomers. Predictions for C-7, C-8, and C-9 stretching frequencies are calculated by directly scaling the theoretical frequencies with factors derived from the experimental-to-theoretical ratios known for the smaller molecules.