On the "Expanded" Local Mode Approach and Isotopic Eff ect (CH2D2/CH3D/CHD3) in the Methane Molecule.

2010

Earlier derived, [1] - [3], for the XY2 (C2v) and XY3 (C3v) molecules "expanded local mode model" is applied to the methane-type, XH4, molecules. Value of the ambiguity parameter, sin \_gamma, simple value of all transformation coefficients, l, are obtained for the CH4 molecule. It gives us possibility, on the one hand, 1). to derive simple relations between different spectroscopic parameters (harmonic frequencies, anharmonic parameters and vibrational tetrahedral coefficients, rotational-vibrational and rotational tetrahedral coefficients) of the CH4 molecule, and, on the other hand, 2). on the base of the general isotopic substitution theory (see, e:g:, [4]), to obtain very simple values …