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Molecular vibrational constants of some simple polyatomic molecules. Methyl, silyl, and germyl halides
Author(s) -
Mercau N.,
Aroca R.,
Robinson E. A.,
Aron J.,
Bunnell J.,
Ford T. A.
Publication year - 1984
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540050503
Subject(s) - silylation , chemistry , halide , polyatomic ion , bromide , computational chemistry , fluoride , force constant , chloride , methyl iodide , molecule , methylene , atomic physics , inorganic chemistry , medicinal chemistry , organic chemistry , physics , catalysis
The force constants and compliance constants of methyl, silyl, and germyl fluoride, chloride, bromide, and iodide have been calculated by the iterative consistency method. Using the force fields so obtained, centrifugal distortion constants, Coriolis coupling constants, and mean amplitudes of vibration have been computed and compared with experimental data, where available.