Synthesis based on electrogenerated carbenes |
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Authors: | V A Petrosyan A A Fainzil'berg M E Niyazymbetov V N Solkan |
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Institution: | 1. N. D. Zelinskii Institute of Organic Chemistry, Academy of Sciences of the USSR, Moscow
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Abstract: | 1. |
The MINDO/3 method has been used to calculate enthalpies in decomposition reactions of the dimethylsulfonium dinitromethylide cation radical in the gas phase; it has been shown that the most probable direction of decomposition leads to the formation of dinitrocarbene.
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The MINDO/3 method has been used to calculate the geometric parameters and electronic structure of dinitrocarbene, and it has been shown that the singlet state is more favorable than the triplet state. It has been found that, in a series of singlet carbenes with electron-acceptor substituents, dinitrocarbene is the strongest electrophile.
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Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 5, pp. 1089–1093, May, 1989. |
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