A novel algebraic scheme for describing coupled benders in tetratomic molecules

J Phys Chem A. 2009 Nov 26;113(47):13273-86. doi: 10.1021/jp9040474.

Abstract

An algebraic scheme for describing the bending dynamics of tetratomic molecules including linear, bent planar, and bent a-planar species is introduced. The correlation diagram linear-cis-bent and linear-trans-bent is constructed. Effective potential energy functions are evaluated by exploiting the method of coherent states. A sample calculation of the bending vibrations of C2H2 in its X1 Sigma(g)+ electronic ground state is performed.