TY - JOUR
T1 - Isotope substitution in the expanded local mode approach
T2 - XH2 → XHD molecules
AU - Ulenikov, O. N.
AU - Olekhnovitch, I. M.
PY - 1998/1/1
Y1 - 1998/1/1
N2 - In a previous paper (O.N. Ulenikov, R.N. Tolchenov, and Qing-shi Zhu, 1996, Spectrochimica Acta Part A, 52, 1829) we have described the 'expanded local mode' approach which is a considerable extension of the well-known local mode model (M.S. Child and L. Halonen, 1984, Adv. Chem. Phys 57, 1). We report here further extension of the 'expanded local mode' approach and consider, for the case of light atoms, the effects of isotopic substitution on the properties of the Hamiltonian and the spectroscopic parameters. For the XY2 molecules of (C2v) symmetry, it is shown that by analyzing the properties of the transformation coefficients, one can obtain relations between the parameters for different isotopomers.
AB - In a previous paper (O.N. Ulenikov, R.N. Tolchenov, and Qing-shi Zhu, 1996, Spectrochimica Acta Part A, 52, 1829) we have described the 'expanded local mode' approach which is a considerable extension of the well-known local mode model (M.S. Child and L. Halonen, 1984, Adv. Chem. Phys 57, 1). We report here further extension of the 'expanded local mode' approach and consider, for the case of light atoms, the effects of isotopic substitution on the properties of the Hamiltonian and the spectroscopic parameters. For the XY2 molecules of (C2v) symmetry, it is shown that by analyzing the properties of the transformation coefficients, one can obtain relations between the parameters for different isotopomers.
KW - Expanded local mode approach
KW - Isotope substitution
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U2 - 10.1016/S1386-1425(98)00037-7
DO - 10.1016/S1386-1425(98)00037-7
M3 - Article
AN - SCOPUS:0348117264
VL - 54
SP - 1337
EP - 1345
JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
SN - 1386-1425
IS - 10
ER -