Conformational analysis of 2-phenyl-2-oxo-5,6-benzo-1,3,2-dioxaphosphepine with data from vibrational spectroscopy, dipole moments, and the kerr effect

Autor:	I. Kh. Shakirov, R. R. Shagidullin, R. P. Arshinova, S. G. Gnevashev
Rok vydání:	1991
Předmět:	Angle of rotation Crystallography Dipole chemistry.chemical_compound Kerr effect Chemistry Computational chemistry Substituent Infrared spectroscopy Phenyl group Polar General Chemistry Spectroscopy
Zdroj:	Bulletin of the Academy of Sciences of the USSR Division of Chemical Science. 40:921-926
ISSN:	1573-9171 0568-5230
Popis:	2-Phenyl-2-oxo-5,6-benzo-1,3,2-dioxaphosphepine exists in a melt and solutions in polar solvents as a three-component equilibrium of two chair forms (C) with axial and equatorial arrangement of the phenyl group and the twist-boat form (TB) with a pseudoequatorial position of the phenyl substituent, a-C ⇄ e-C ⇄ e-TB. The two-component equilibrium e-C ⇄ e-TB is observed in nonpolar solvents. The e-TB conformation occurs in the crystalline state. The dipole moment of the P=O groups is 3.5 D. The angle of rotation of the plane of the phenyl group with respect to the P=O bond in the e-TB conformation was 54 or 129‡.
Databáze:	OpenAIRE
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