MICROWAVE SPECTRUM, STRUCTURE, AND QUADRUPOLE COUPLING CONSTANT TENSOR OF ETHYL BROMIDE
MICROWAVE SPECTRUM, STRUCTURE, AND QUADRUPOLE COUPLING CONSTANT TENSOR OF ETHYL BROMIDE
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DOI：
10.1063/1.1733627
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发表时间：
1963-06
影响因子：
4.4
通讯作者：
C. Flanagan;L. Pierce
中科院分区：
文献类型：
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作者：
C. Flanagan;L. Pierce
测量了溴乙烷10种同位素的微波光谱，CH 3CH 2Br、CH 3CD 2Br、CD 3CH 2Br、CH 313 CH 2Br和13 CH 3CH 2Br的79 Br和81 Br种类。报告的光谱位于18至31 kMc的区域。通过取代法确定了完整的结构，给出了以下键参数：CC = 1.518 A，CBr = 1.950 A，CCBr = 111°2′，CH（亚甲基）= 1.087 A，HCH（亚甲基）= 109°54′，CCH（亚甲基）= 112°15′，HCBr = 105°25′，CH（甲基）= 1.093 A，HCH（甲基）= 108°52′。C_2H_（579）Br的主要四极耦合参数为χzz = 541 Mc，χxx = -267 Mc，χyy = -274 Mc; C_2H_（581）Br的主要四极耦合参数为χzz = 450 Mc，χxx = -220 Mc，χyy = -230 Mc。通过分析四极耦合对超精细结构的二阶效应，确定在实验误差范围内，CBr核间线和“z”主四极轴重合，表明CBr键没有弯曲。The barrier to int.
The microwave spectra of 10 isotopic species of ethyl bromide have been measured and assigned, viz., the 79Br and 81Br species of CH3CH2Br, CH3CD2Br, CD3CH2Br, CH313CH2Br, and 13CH3CH2Br. The spectra reported lie in the region of 18 to 31 kMc. The complete structure has been determined by the substitution method, giving the following bond parameters: CC = 1.518 A, CBr = 1.950 A, CCBr = 111°2′, CH (methylene) = 1.087 A, HCH (methylene) = 109°54′, CCH (methylene) = 112°15′, HCBr = 105°25′, CH (methyl) = 1.093 A, and HCH (methyl) = 108°52′. The principal quadrupole coupling parameters have been determined to be χzz = 541 Mc, χxx = —267 Mc, and χyy = —274 Mc for C2H579Br and χzz = 450 Mc, χxx = —220 Mc, and χyy = —230 Mc for C2H581Br. Through the analysis of second‐order effects of quadrupole coupling on hyperfine structure, it was determined that, within experimental error, the CBr internuclear line and the ``z'' principal quadrupole axis coincide, indicating that the CBr bond is not bent. The barrier to int...