Conformational analysis of 1,4-heterophosphinanes |
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| Authors: | Ya A Vereshchagina E A Ishmaeva A A Gazizova D V Chachkov M G Voronkov |
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| Institution: | (1) Kazan State University, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008, Russia;(2) Kazan State Technological University, Kazan, Tatarstan, Russia;(3) Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, Irkutsk, Russia |
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| Abstract: | Conformational analysis of 1,4-heterophosphinanes in solution, based on a combination of the dipole moment and Kerr effect methods, molecular mechanics, and quantum-chemical calculations (B3LYP/6-31G*) was performed. It was established that, regardless the second heteroatom in the six-membered phosphorus-containing heterocycle (oxygen, sulfur, or silicon) and phosphorus coordination, these compounds prefer a chair conformation with an equatorial exocyclic phenyl substituent. |
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