Correlation of Electronic Structure and Bending Force Constants in Some Linear Molecules

Abstract

A qualitative relationship between electron density in the outermost occupied orbital at the central carbon atom and ease of bending is described for several triatomic and pentatomic linear molecules, including CO₂, C₃, NCN, C₃N₂, C₃O₂, C₃S₂, and C₃H₄. Both valence bond and molecular orbital models are discussed.