A novel algebraic scheme for describing coupled benders in tetratomic molecules

Iachello F. Pérez-Bernal F.
Journal of Physical Chemistry A
Doi 10.1021/jp9040474
Volumen 113 páginas 13273 - 13286
2009-12-01
Citas: 13
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-transbent is constructed. Effective potential energy functions are evaluated by exploiting the method of coherent states. A sample calculation of the bending vibrations of C 2H 2 in its X 1? g + electronic ground state is performed. © 2009 American Chemical Society.
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