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 |
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Rok vydání: | 1991 |
Předmět: | |
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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