5314027794
POSTER SESSION, H61
ON ISOTOPE SUBSTITUTION EFFECT IN THE EXPANDED LOCAL MODĘ APPROACH: XH3 -> XH2D and XH3 -* XHD2 MOLECULES
O.N. ULENIKOY. I.M. OLEKHNOY1TCH. and
Yu.Yu. ANKERSTEIN. Laboratory of Molecular Spectroscopy, Tomsk State University, 634050, Tomsk, Russia.
Earlier derived° ”expanded local modę” model is applied to analysis of influence of isotopic substitution of hydrogen atoras on the spectroscopic parameters and properties of axially symmetric fouratomic molecules of the XH3 type. Transformation l^a\ coeflicients of the XH2D and XHD2 species are obtained in a simple form, and. on this basis, different relations between vibration-rotation, resonance interaction, harmonie, anharmonic, etc., parameters of the "parental" XH3 and substituted XH2D and XHD2 molecules, from the one hand, and between own parameters of the XH2D (or/and XHD2) ones, from the other hand, are derived.
Comparison of the theoretical results with experimentally determincd parameters of the PH2D molecule is madę.
°O.N. ULEN!KOV, R.N. Tolchenoy and Q.-S. Zhu, Spcctrochtm. Acta, A52, 1829 1841
(1996) ; O.N. Ulenikoy, R.N. Tolchenov and Q.-S. Zhd, Spectrochim. A eta, A53, 329 334
(1997)
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