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Asymmetric Tops attached to a Rigid Frame

Asymmetric Tops attached to a Rigid Frame.— The calculation of thermodynamic properties of molecules containing asymmetric tops attached to a rigid frame is in general complicated by the change of molecular moments of inertia on internal rotation. Furthermore, the restricting potential for an asymmetric top is likely to be more complex than for a symmetric top. [Pg.289]

In spite of these complexities, several approximate methods for calculating thermodynamic properties for these types of molecule have been developed.  [Pg.290]

The reduced moment of inertia (/, ) of a single asymmetric top attached to a rigid frame is given by [Pg.290]

The potential energy function for internal rotation of an asymmetric top is generally more complex than that for a symmetric top. In addition, for molecules having several tops the potential is further complicated by crossterms between the tops. In practical applications, however, the cross-terms have been invariably neglected, and so thermodynamic properties have been calculated by considering contributions from the several tops separately. [Pg.291]


Thermodynamic calculations have been reported for several molecules containing both symmetric and asymmetric tops attached to a rigid frame. With the exception of propane-2-thiol, contributions from the internal rotation of symmetric tops have been calculated using procedures discussed on p. 288 and they are not further discussed here. Barrier heights for the... [Pg.291]




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