VIBRATIONAL SPECTRA AND FORCE CONSTANTS OF THE HEXACARBONYLS OF CHROMIUM, MOLYBDENUM AND TUNGSTEN

Journal Article · Tue Jan 01 04:00:00 EST 1963 · Spectrochimica Acta (England) Divided into Spectrochim. Acta, Part A and Spectrochim. Acta, Part B

DOI:https://doi.org/10.1016/0371-1951(63)80112-5· OSTI ID:4750224

Jones, L H

The infrared absorption spectra of the hexacarbonyls of Cr, Mo, and W were observed in the gaseous and solid states. Eleven of the thirteen fundamental frequencies of each were assigned. Force constants were calculated using a resonance interaction potential function. The order of metal-carbon force constants is F/sub wc/> F/sub CrC/> F/sub Moc/. For these three hexacarbonyls, it is found that a higher metalcarbon force constant is accompanied by a lower CO force constant, indicating a decrease in metal -- ligand pi bonding in the same order as the metal--carbon force constants. The various calculated interaction constants are discussed. They all have reasonable values except the non-coplanar MCO, MCO bending interaction constants, which are unexpectedly large. The results of this work support the use of the resonance interaction valence force field for molecules of this sort. (auth)

• Research Organization: Los Alamos Scientific Lab., N. Mex.
• NSA Number: NSA-17-014288
• OSTI ID: 4750224
• Report Number(s): LADC-5371; 0038-6987
• Journal Information: Spectrochimica Acta (England) Divided into Spectrochim. Acta, Part A and Spectrochim. Acta, Part B, Journal Name: Spectrochimica Acta (England) Divided into Spectrochim. Acta, Part A and Spectrochim. Acta, Part B Vol. Vol: 19; ISSN SPACA
• Country of Publication: United States
• Language: English

Related Subjects

ABSORPTION
BINDING ENERGY
CARBONYLS
CHEMISTRY
CHROMIUM COMPOUNDS
FREQUENCY
GASES
INFRARED RADIATION
RESONANCE
SOLIDS
SPECTRA
TUNGSTEN COMPOUNDS