The ultraviolet spectrum of dimethylsilylene

The equilibrium geometries, vibrational frequencies, and infrared intensities of the three lowest lying states of dimethylsilylene have been predicted via a priori quantum mechanical methods. Their results agree with the recently disputed spectroscopic studies of West, Michl, and co-workers, and the...

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Veröffentlicht in:	J. Am. Chem. Soc.; (United States) 1986-09, Vol.108 (19), p.5804-5808
Hauptverfasser:	Grev, Roger S, Schaefer, Henry F
Format:	Artikel
Sprache:	eng
Schlagworte:	400301 - Organic Chemistry- Chemical & Physicochemical Properties- (-1987) Atomic and molecular physics DATA Electron correlation calculations for atoms and molecules Electronic structure of atoms, molecules and their ions: theory ENERGY LEVELS Exact sciences and technology EXCITED STATES GROUND STATES HYDRIDES HYDROGEN COMPOUNDS INFORMATION INFRARED SPECTRA INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY MECHANICS NUMERICAL DATA ORGANIC COMPOUNDS ORGANIC SILICON COMPOUNDS Physics QUANTUM MECHANICS SILANES SILICON COMPOUNDS SPECTRA THEORETICAL DATA VIBRATIONAL STATES
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Beschreibung
Zusammenfassung:	The equilibrium geometries, vibrational frequencies, and infrared intensities of the three lowest lying states of dimethylsilylene have been predicted via a priori quantum mechanical methods. Their results agree with the recently disputed spectroscopic studies of West, Michl, and co-workers, and they confirm that the observed 450-nm absorption is due to ground-state dimethylsilylene.
ISSN:	0002-7863 1520-5126
DOI:	10.1021/ja00279a023