Synthesis and structure of tris(5-phenyltetrazol-1-yl)methane |
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| Authors: | R E Trifonov G V Gurskaya A V Gaenko V E Zavodnik V A Ostrovskii |
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| Institution: | (1) Saint Petersburg State Technological Institute (Technical University), Saint Petersburg, 190013, Russia;(2) V. A. Engelgardt Institute of Molecular Biology, Russian Academy of Sciences, Moscow, 119991;(3) Department of Theoretical Chemistry, Chemical Center, Lund University, Lund, S-221 00, Sweden;(4) L. Ya. Karpov Research Institute for Physical Chemistry, Moscow, 105064, Russia |
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| Abstract: | The interaction of 5-phenyltetrazolate anion with chloroform in strongly alkaline medium leads to the formation of tris(5-phenyltetrazol-1-yl)methane
and 2-dichloromethyl-5-phenyltetrazole. The structures of tris(5-phenyltetrazol-1-yl)-methane and of its isomer tris(5-phenyltetrazol-2-yl)methane
have been investigated by X-ray structural analysis and theoretical calculations carried out on the B3LYP/6-31G** basis.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 3, pp. 398–404, March, 2007. |
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| Keywords: | polynuclear heterocycles tetrazole X-ray structural analysis theoretical calculations by the DFT method |
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