Vibrational Bending and Stretching Frequencies for C4, C5 and C6

Abstract

A correlation of electronic structure, developed from molecular‐orbital considerations, with bending force constants for 15 linear molecular species containing carbon, nitrogen, and oxygen has produced estimates for the average bending force constants of C₄, C₅ and C₆. These force constants are used to estimate a set of vibrational energy levels for each species to be used in calculations of the thermodynamic functions.