Infrared spectra of MeTiCl3 species, methyl group geometry and a force field

Autor:	D.C. McKean, G.P. McQuillan, J.M. Dickinson, I. Torto, Anthony J. Downs, N.C. Bednell
Rok vydání:	1991
Předmět:	Agostic interaction Chemistry Organic Chemistry Solid-state Torsion (mechanics) Infrared spectroscopy Geometry Analytical Chemistry Gas phase Inorganic Chemistry chemistry.chemical_compound Electron diffraction Spectroscopy Methyl group
Zdroj:	Journal of Molecular Structure. 247:73-87
ISSN:	0022-2860
DOI:	10.1016/0022-2860(91)87064-o
Popis:	Infrared spectra have been recorded between 4000 and 200 cm −1 from 12 CH 3 TiCl 3 in the gas and solid, and 12 CD 3 TiCl 3 in the gas phase. 13 CH 3 TiCl 3 and CHD 2 TiCl 3 have been studied in the gas phase down to 450 cm − . All fundamentals, apart from the torsion and δTiCl modes, are securely located. The δ as CH 3 and ϱCH 3 frequencies are abnormally low, the remaining vibrations of the methyl group being normal for an organometallic compound. The νCH and νCD frequencies are consistent with the unexceptional methyl geometry of a recent electron diffraction investigation, with ∠HCH≈ 110.8°. They show no sign of an “agostic” interaction in the solid state. A force field having five off-diagonal constants has been determined.
Databáze:	OpenAIRE
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