TRACTABLE POTENTIAL FUNCTIONS AS DERIVED FROM THEORIES OF BONDING FOR METAL CARBONYLS AND METAL CYANIDE COMPLEXES
Technical Report
·
OSTI ID:4035047
Various potential functions used ior normal coordinate analyses of molecular vibrations are discussed. In a general quadratic potential function there are too many force constants to determine from the obserwed frequencies. Therefore, a pi-electron interaction valence force field is derived for the octahedral metal hexacarbonyls. The results of application of this treatment to Mo(CO)/sub 6/ are given and shown to be quite satisfactory. The Urey-Bradley Field, which gives satisfactory results for some molecules is shown to be inferior for metal carbonyls. A brief discussion of the modification of this pi IVFF for metal-cyanide complexes is presented. (auth)
- Research Organization:
- Los Alamos Scientific Lab., N. Mex.
- NSA Number:
- NSA-15-015495
- OSTI ID:
- 4035047
- Report Number(s):
- TID-12492
- Resource Relation:
- Other Information: Orig. Receipt Date: 31-DEC-61
- Country of Publication:
- Country unknown/Code not available
- Language:
- English
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