摘要
Potential energy surfaces and vibrational spectra for the four isotopomers ( 15 N 14 N 16 O, 14 N 15 N 16 O, 15 N 2 16 O and 15 N 2 18 O) of N 2O have been investigated with the vibrational self consistent field configuration interaction method. It is shown that the isotopomers with the same end atom have similar values of the potential parameters, and that substitution with different end atoms can affect the potential obviously. The calculated vibrational levels are in good agreement with the observed values by the optimization of several potential parameters ( f (1) 1, f (0) 13 , f (1) 3) which are sensitive to isotopic substitutions.
Potential energy surfaces and vibrational spectra for the four isotopomers ( 15 N 14 N 16 O, 14 N 15 N 16 O, 15 N 2 16 O and 15 N 2 18 O) of N 2O have been investigated with the vibrational self consistent field configuration interaction method. It is shown that the isotopomers with the same end atom have similar values of the potential parameters, and that substitution with different end atoms can affect the potential obviously. The calculated vibrational levels are in good agreement with the observed values by the optimization of several potential parameters ( f (1) 1, f (0) 13 , f (1) 3) which are sensitive to isotopic substitutions.
基金
ProjectsupportedbytheNationalNaturalScienceFoundationofChina (GrantNo .2 96 730 2 9) .
