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- W2067991566 abstract "A normal coordinate analysis is carried out to obtain the Urey-Bradley force constants for 4-ethylpyridine (4-etpy) assuming an under C2v point group. These constants are adjusted to fit the observed frequencies for 4-etpy and its deuterated species. The calculated frequencies allowed the vibrational assignments of the normal modes of 4-etpy. These assignments are confirmed by the calculations of the potential energy distributions on 4-etpy. Additional information is obtained from the vibrational spectra of Cd (4-etpy)2 M (CN)4 (MCd, Hg) and calculated wavenumbers of metal (Cd) bonded 4-etpy. It is shown that the ring vibrations in pyridine are to be effected upon metal substitution. These results have also provided certainty for the vibrational assignments." @default.
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- W2067991566 date "1999-07-01" @default.
- W2067991566 modified "2023-09-26" @default.
- W2067991566 title "Urey-Bradley force field of 4-ethylpyridine" @default.
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- W2067991566 doi "https://doi.org/10.1016/s1386-1425(98)00302-3" @default.
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