Structure and properties of 2, 2-dibromovinyl trifluoromethyl ketone

GV Bozhenkov, YL Frolov, DSD Toryashinova…

Index: Bozhenkov; Frolov; Toryashinova; Levkovskaya; Mirskova Russian Journal of Organic Chemistry, 2003 , vol. 39, # 6 p. 807 - 813

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Citation Number: 11

Abstract

Abstract It was established by IR spectroscopy and quantum-chemical calculations along nonempirical DFT method in B3LYP version with the basis set 6-311 G (d, p) that 2, 2- dibromovinyl trifluoromethyl ketone consisted of a mixture of s-cis planar conformer and s- trans-form deviating from a plane by 13°, whereas the s-cis-form is more energetically stable than the s-trans one (ΔE-5.07 kcal mol-1). Also in 2, 2-dibromovinyl methyl ketone the ...

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