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Title: TRACTABLE POTENTIAL FUNCTIONS AS DERIVED FROM THEORIES OF BONDING FOR METAL CARBONYLS AND METAL CYANIDE COMPLEXES

Abstract

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)

Authors:
Publication Date:
Research Org.:
Los Alamos Scientific Lab., N. Mex.
OSTI Identifier:
4035047
Report Number(s):
TID-12492
NSA Number:
NSA-15-015495
Resource Type:
Technical Report
Resource Relation:
Other Information: Orig. Receipt Date: 31-DEC-61
Country of Publication:
Country unknown/Code not available
Language:
English
Subject:
CHEMISTRY; BONDING; CARBONYLS; COMPLEXES; CYANIDES; MOLYBDENUM

Citation Formats

Jones, L H. TRACTABLE POTENTIAL FUNCTIONS AS DERIVED FROM THEORIES OF BONDING FOR METAL CARBONYLS AND METAL CYANIDE COMPLEXES. Country unknown/Code not available: N. p., 1960. Web.
Jones, L H. TRACTABLE POTENTIAL FUNCTIONS AS DERIVED FROM THEORIES OF BONDING FOR METAL CARBONYLS AND METAL CYANIDE COMPLEXES. Country unknown/Code not available.
Jones, L H. Fri . "TRACTABLE POTENTIAL FUNCTIONS AS DERIVED FROM THEORIES OF BONDING FOR METAL CARBONYLS AND METAL CYANIDE COMPLEXES". Country unknown/Code not available.
@article{osti_4035047,
title = {TRACTABLE POTENTIAL FUNCTIONS AS DERIVED FROM THEORIES OF BONDING FOR METAL CARBONYLS AND METAL CYANIDE COMPLEXES},
author = {Jones, L H},
abstractNote = {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)},
doi = {},
url = {https://www.osti.gov/biblio/4035047}, journal = {},
number = ,
volume = ,
place = {Country unknown/Code not available},
year = {1960},
month = {1}
}

Technical Report:
Other availability
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