Ⅰ. INTRODUCTIONIsotopic frequency shifts of vibrational frequencies of polyatomic molecules bring much benefit to the determination of force field constants. There are a variety of isotopic substitution rules for mol...Ⅰ. INTRODUCTIONIsotopic frequency shifts of vibrational frequencies of polyatomic molecules bring much benefit to the determination of force field constants. There are a variety of isotopic substitution rules for molecular vibrational fundamental frequencies, all of which are based on the GF matrix method, that is, with small vibrational amplitude approximation. For X-H(X=C, N, O, S, etc.) stretching vibrations with large anharmonicity, we discover at least展开更多
基金Project supported by the National Natural Science Foundation of China.
文摘Ⅰ. INTRODUCTIONIsotopic frequency shifts of vibrational frequencies of polyatomic molecules bring much benefit to the determination of force field constants. There are a variety of isotopic substitution rules for molecular vibrational fundamental frequencies, all of which are based on the GF matrix method, that is, with small vibrational amplitude approximation. For X-H(X=C, N, O, S, etc.) stretching vibrations with large anharmonicity, we discover at least
