The infrared spectrum of CHD2I and the ground state geometry of methyl iodide
The infrared spectrum of CHD2I and the ground state geometry of methyl iodide
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CHD2I的红外光谱和碘甲烷的基态几何结构
DOI：
10.1016/0022-2852(71)90218-9
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发表时间：
1971
期刊：
影响因子：
--
通讯作者：
P. Mallinson
中科院分区：
文献类型：
--
作者：
J. Duncan;P. Mallinson
CHD 2 I的红外光谱已被记录在分辨率为1.000.2 cm− 1。对五种B型和C型基本面的Q分支进行了分析，并对所有其他基本面的带中心进行了精确定位。本文所测得的平均A0值与最近实验观测到的CH 3 I分子的A0值几乎完全一致。由CH 3 I，CD 3 I，13 CH 3 I和CHD 2 I的转动常数确定了基态几何构型：rCH 0= 1.088± 0.002A <$，rCD 0= 1.086± 0.002A <$，rCI 0= 2.1423± 0.0015A <$，α HCH 0= 111° 31′±15′.预测了甲基溴和甲基氯的基态几何构型。
The infrared spectrum of CHD 2 I has been recorded at a resolution of∼ 0.2 cm− 1. Analyses in terms of the Q branches of five type B and type C fundamentals have been performed, and the band centers of all other fundamentals accurately located. The averaged value of A 0 determined in this work is found to be almost perfectly compatible with the recent experimentally observed value of A 0 for CH 3 I. The ground state geometry, determined from the rotational constants of CH 3 I, CD 3 I, 13 CH 3 I, and CHD 2 I is found to be r CH 0= 1.088±0.002 A ̊, r CD 0= 1.086±0.002 A ̊, r CI 0= 2.1423±0.0015 A ̊, α HCH 0= 111° 31′±15′. Ground state geometries for methyl bromide and methyl chloride are predicted.