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Structure of alkyl 2,3-dibromo-3-nitroacrylates in solution
Authors:E A Ishmaeva  Ya A Vereshchagina  D V Chachkov  S V Makarenko  K S Kovalenko  V M Berestovitskaya
Institution:(1) Butlerov Institute of Chemistry, Kazan (Volga Region) Federal University (KFU), Kremlevskaya, 18, Kazan, 420008, Russia;(2) Kazan Branch of Joint Supercomputer Center of Russian Academy of Sciences, Kazan, Russia;(3) Hertzen Russian State Pedagogical University, Saint Petersburg, Russia
Abstract:The structure of the new representatives of polyfunctional bromonitroalkenes, alkyl 2,3-dibromo-3-nitroacrylates, was examined by means of dipole moments, B3LYP/6-31G(d)] quantum-chemical methods, and IR spectroscopy. They were found to have nontrivial Z-configuration in a solution.
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