Gas phase electron diffraction study of six fluoroethylenes
Gas phase electron diffraction study of six fluoroethylenes
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六氟乙烯的气相电子衍射研究
DOI：
10.1039/f29747000177
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发表时间：
1974
期刊：
影响因子：
--
通讯作者：
S. Bauer
中科院分区：
文献类型：
--
作者：
J. Carlos;R. Karl;S. Bauer
分析了氟乙烯、反式-1,2-二氟乙烯、顺式-1,2-二氟乙烯、1,1-二氟乙烯、三氟乙烯和四氟乙烯的气相电子衍射图和分子结构。在考虑非相关参数同时变化的情况下，将计算值与实验分子散射函数进行最小二乘拟合得到结构参数。采用统计方法评价相关参数的误差限。根据目前报道的原子间距离计算的转动惯量与从微波光谱中得出的转动惯量是一致的。结果发现，测得的CC距离与报道的振动力常数相关，相关键角与观测到的偶极矩一致。
Gas phase electron diffraction patterns were analyzed and molecular structures for vinyl fluoride, trans-1,2-difluoroethylene, cis-1,2-difluoroethylene, 1,1-difluoroethylene, trifluoroethylene, and tetrafluoroethylene were derived from these data. Structural parameters were obtained by least squares fitting of the calculated to the experimental molecular scattering functions, allowing for simultaneous variation of the non-correlated parameters. A statistical procedure was used to evaluate error limits for the correlated parameters. Moments of inertia computed from the currently reported interatomic distances are in agreement with those derived from microwave spectra. It was found that the measured CC distances correlate with reported vibrational force constants, and the pertinent bond angles are consistent with observed dipole moments.