Q. Shen
May 12, 1981
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0
Influential Citations
13
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The molecular structure of trans -1,3-dichloropropene has been studied at nozzle temperatures of 25, 80 and 180°C. The molecules exist as a mixture of syn (near- syn ) and gauche forms with the latter being lower in energy. The principal molecular structural values ( r g , ∠ α ) obtained from the least squares refinements (25°C data) are: r (CC) = 1.338(6) A, r (CC) = 1.508(8) A, r (CCl) = 1.716(5) A, r (CCl) = 1.801 A, ∠ ClCC = 124(2)°, ∠ CCC = 121(1)° and ∠ ClCC = 110(2)°. The energy and entropy differences between the gauche and syn forms were found to be −0.62 kcal mol −1 and −1.15 cal mol −1 K −1 respectively.