Quang Shen
1990
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0
Influential Citations
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Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The molecular structure of 1-bromo-3-methyl-2-butene has been studied at a nozzle-tip temperature of 306 K. The major component of the vapor, if not all, consists of the gauche conformer. Three theoretical models have been used to fit the data. A two-conformer model is found to fit the data slightly, but not significantly, better than the static and dynamic one-conformer models. The geometrical parameter values ( r g and ∠ α ) obtained from least-squares analyses are: r (C-H) = 1.078(9)A, r (C=C) = 1.360(9) A, r (C-C) = 1.505(4) A, r (C-Br) = 1.969(9) A, ∠C 1 C 2 =C 3 = ∠C 4 C 3 =C 2 =126° (5), ∠C 5 C 3 =C 2 = 122° (6), ∠BrCC = 110.7° (11), ∠HCC = 111.4° (34), and τ 0 =98° (15).