Conformational analysis of 4-methyl-2-trimethylsiloxy-1,3,2-dioxaphosphinane |
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| Authors: | Ya A Vereshchagina E A Ishmaeva D V Chachkov A Z Alimova |
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| Institution: | 1. Kazan (Volga Region) Federal University, ul. Kremlevskaya 18, Kazan, 420008, Tatarstan, Russia
2. Kazan Branch, Joint Supercomputer Center of the Russian Academy of Sciences, Kazan, Tatarstan, Russia
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| Abstract: | Conformational analysis of 4-methyl-2-trimethylsiloxy-1,3,2-dioxaphosphinane was performed by the dipole moment method and quantum-chemical calculations. The 1,3,2-dioxaphosphinane heteroring was found to adopt a chair conformation with equatorial orientation of the 4-methyl group and axial orientation of the irregular trimethylsiloxy substituent. The conformational equilibrium involves non-eclipsed gauche and trans conformers (the latter prevailing) interconvertible through rotation about the exocyclic P-O bond. |
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