POTENTIAL FUNCTIONS OF RESTRICTED INTERNAL ROTATION IN MOLECULES

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作者
唐敖庆
陈世元
机构
[1] Institute of Applied Chemistry Academia Sinica
[2] Changchun
[3] Institute of Applied Chemistry
[4] Academia
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摘要
<正> Certain molecules,which are intimately related,have been classified into three types accordingto the general characteristics with respect to the internal rotation.By symmetry analysis of thesethree types of molecules the general forms of potential functions have been obtained.Applyingthe results obtained,and considering the additive property of interaction energies between chemicalbonds,we have calculated the potential functions of 85 molecules.All the calculated resultsagree well with the experimental data.Besides,the number of isomers of internal rotation andthe stable configurations in relation to both the meso and the active forms of two moleculesCClFH-CClFH and C(CH3)ClH-C(CH3)ClH have been predicted.
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页码:1491 / 1512
页数:22
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