0000000000627575
AUTHOR
A.l. Fomchenko
On the "expanded local mode" approach applied to the methane molecule
Methane (CH4 ) is one of the main prototypical hydrocarbons and is of great importance in a variety of applications ranging from our understanding of the chemical bonding, structure and quantum dynamics, reaction kinetics to geology, astrophysics, atmospheric and environmental science. On that reason, during more than five last decades both the vibrational and ro-vibrational spectra of methane were a subject of numerous studies (see, for example, M.Hippler and M.Quack, J. Chem. Phys. 116 (2002) 6045. and H.M.Niederer, S.Albert, S.Bauerecker, V.Boudon, J.P.Champion and M.Quack, Chimia 62 (2008) 273 where extensive references to spectroscopic and theoretical works can be found, the complete, …
On the ”Expanded” Local Mode Approach and Isotopic Effect (CH2D2/CH3D/CHD3) in the Methane Molecule
Earlier derived, [1] - [3], for the XY2 (C2v and XY3 (C3v molecules) ”expanded local mode model” is applied to the methane-type, XH4, molecules. On the base of using os specially obtained value of the ambiguity parameter, sin gamma , simple value of all transformation coefficients, l_{N \alpha \lambda}, were obtained for the CH4 molecule. It gave 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 genegal isotopic substit…