Vol. 12, issue 02, article # 6

pdf Ulenikov O. N., Yurchenko S. N. Sextic centrifugal distortion constants in the local mode approach. // Atmospheric and oceanic optics. 1999. V. 12. No. 02. P. 125-129.
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The problem of calculation of the sextic centrifugal distortion constants is considered within the framework of the "expanded local mode approach" for XY2 (C2v), XY3 (C3v), and XY4 (Td) molecules with relatively heavy X nucleus. Some conditions imposed on the structure and dynamic characteristics of molecules of this type allow significantly simpler derivation of analytical expressions for parameters of the effective rotational Hamiltonian. The simple expressions can be thus obtained for the sextic centrifugal constants. As an illustration, the corresponding values of the centrifugal constants are calculated using these expressions for such molecules as H2Se, H2S, AsH3, SbH3, CH4, SiH4, and GeH4. The correspondence between the calculated and experimental values is demonstrated.