Vibrational frequency shifts for isotopes of hexacarbonylchromium

Comments are presented on the fit of experimentally observed infrared bands reported elsewhere for Cr(/sup 12/C/sup 16/O)/sub n/(/sup 13/C/sup 16/O)/sub 6-n/ and the theoretical spectrum estimated from a CO-factored force field. Deviations between experimental and theoretical values for different is...

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Veröffentlicht in:	Inorg. Chem.; (United States) 1976-05, Vol.15 (5), p.1245-1245
Hauptverfasser:	Burdett, J. K, Perutz, R. N, Poliakoff, M, Turner, J. J
Format:	Artikel
Sprache:	eng
Schlagworte:	400200 - Inorganic, Organic, & Physical Chemistry 400202 - Isotope Effects, Isotope Exchange, & Isotope Separation CARBON 13 CARBON ISOTOPES CARBONYLS CHROMIUM COMPOUNDS ENERGY LEVELS EVEN-EVEN NUCLEI EVEN-ODD NUCLEI EXCITED STATES INFRARED SPECTRA INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ISOTOPE EFFECTS ISOTOPES LIGHT NUCLEI NUCLEI OXYGEN 18 OXYGEN ISOTOPES SPECTRA SPECTRAL SHIFT STABLE ISOTOPES TRANSITION ELEMENT COMPOUNDS VIBRATIONAL STATES
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Zusammenfassung:	Comments are presented on the fit of experimentally observed infrared bands reported elsewhere for Cr(/sup 12/C/sup 16/O)/sub n/(/sup 13/C/sup 16/O)/sub 6-n/ and the theoretical spectrum estimated from a CO-factored force field. Deviations between experimental and theoretical values for different isotopic labelled compounds are tabulated. It is pointed out that /sup 13/CO substitution does lead to reliable structural information when a full vibrational analysis is impossible. (BLM)
ISSN:	0020-1669 1520-510X
DOI:	10.1021/ic50159a061