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Mean Amplitudes of Vibration of Some Tetrahedral XY 4 Type Molecules‐Part I

1962; Wiley; Volume: 71; Issue: 5-6 Linguagem: Inglês

10.1002/bscb.19620710509

0037-9646

G. Nagarajan,

Nonlinear Optical Materials Research

Abstract The general theory of mean‐square amplitude matrices has been briefly applied to the tetrahedral XY 4 type molecule. The expressions for the twelve mean‐square amplitude quantities as linear combinations of the symmetrized mean‐square amplitude matrix elements have been given. The secular equations for the normal frequencies involving symmetry force constants and symmetrized mean‐square amplitude matrix elements have been obtained. The expressions for the generalized mean‐square amplitudes (mean‐square parallel amplitudes, mean‐square perpendicular amplitudes, and mean cross products) in terms of the Σ matrix elements have been given. For the molecules SiF 4 , OsO 4 , RuO 4 , CH 4 , CD 4 , CD 4 and Cl 4 , the computed values of ( 1 ) mean‐square amplitude quantities, ( 2 ) generalized mean‐square amplitudes and ( 3 ) mean amplitudes of vibration at the temperatures T=O and T=298°K have been reported.