Molecular structures of β-amino-α-bromovinyl trifluoromethyl ketones期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Molecular structures of β-amino-α-bromovinyl trifluoromethyl ketones

Authors:	S. V. Fedorov A. Yu. Rulev N. N. Chipanina A. M. Shulunova V. G. Nenajdenko E. S. Balenkova D. A. Tyurin V. K. Turchaninov

Affiliation:	(1) A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, 1 ul. Favorskogo, 664033 Irkutsk, Russian Federation;(2) Department of Chemistry, M. V. Lomonosov Moscow State University, 1 Leninskie Gory, 119992 Moscow, Russian Federation

Abstract:	The molecular structures of β-amino-α-bromovinyl trifluoromethyl ketones was studied by UV, IR, ¹H, ¹³C, and ¹⁵N NMR spectroscopy and using the density functional (B3LYP/6-31G(d,p) and PBE/QZ3P) and ab initio riMP2/cc-pVTZm quantum-chemical calculations. Factors affecting stabilization of the EZE-conformation of the molecules, which is atypical of analogous unsubstituted amino enones, are considered.__________Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 102–106, January, 2005.

Keywords:	α ,β -unsaturated trifluoromethyl ketones molecular structure isomerism hydrogen bond
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