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Conformational analysis of 2-aminophenyl-, 2-aminobenzyl-, and 2-nitrobenzyl(diphenyl)phosphine oxides |
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| Authors: | Ya A Vereshchagina A Z Alimova D V Chachkov E A Ishmaeva O I Artyushin E V Sharova A E Klimovitskii R R Khanafieva |
| Institution: | 1. Kazan (Volga Region) Federal University, ul. Kremlevskaya 18, Kazan, 420008, Tatarstan, Russia 2. Kazan Division, Joint Supercomputer Center of the Russian Academy of Sciences, ul. Lobachevskogo 2/31, Kazan, 420111, Tatarstan, Russia 3. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, ul. Vavilova 28, Moscow, 119991, Russia |
| Abstract: | The polarity and conformations of 2-aminophenyl-, 2-aminobenzyl-, and 2-nitrobenzyl(diphenyl)-phosphine oxides were studied by the dipole moment method, IR spectroscopy, and quantum chemical calculations. 2-Aminophenyl- and 2-aminobenzyl(diphenyl)phosphine oxides were found to exist preferentially as conformers with intramolecular hydrogen bond. 2-Nitrobenzyl(diphenyl)phosphine oxide is likely to be represented by equilibrium mixture of three conformers in which the phosphoryl and nitro groups are oriented syn or anti with respect to the \(PC_{sp^3 } C_{sp^2 } \) fragment. |
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