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Tentatively standardized symmetry coordinates for vibrations of polyatomic molecules

1968; Elsevier BV; Volume: 2; Issue: 4 Linguagem: Inglês

10.1016/0022-2860(68)80023-7

1872-8014

I. Elvebredd, S. J. Cyvín,

Magnetism in coordination complexes

Abstract A theoretical analysis is given for the molecular vibrations of the following trigonal bipyramidal models: (iti) X3Y2 of D3h symmetry, (itii) (XZ2)3(YW)2 with planar (XZ2)3 structure (itD3h symmetry), and (itiii) distorted (XZ2)3(YW)2 of D3 symmetry. Suitable sets of symmetry coordinates are specified for all these models. For the simplest one (iti) the G matrix and Coriolis Cα matrix elements are also given. The results of this work may be useful in a normal-coordinate analysis of bicyclo (1.1.1)pentane.