Fourier Transform Microwave and Millimeter-wave Spectroscopy of Bromoiodomethane, CH2BrI
Fourier Transform Microwave and Millimeter-wave Spectroscopy of Bromoiodomethane, CH2BrI
复制标题
溴碘甲烷 (CH2BrI) 的傅里叶变换微波和毫米波光谱
DOI：
10.1021/jp510119e
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发表时间：
2014
期刊：
影响因子：
2.9
通讯作者：
and W. Bailey
中科院分区：
文献类型：
--
作者：
Bailleux;S.;D. Duflot;K. Taniguchi;S. Sakai;H. Ozeki;T. Okabayashi;and W. Bailey
溴碘甲烷（CH2BrI）是一种天然分子，大量排放到海洋边界层。它很容易被太阳辐射分解，在对流层中释放出Br和I原子，从而影响大气化学。光谱学是监测大气中存在的物种的宝贵工具。由于没有高分辨率的光谱研究可用于此二卤甲烷，我们已经调查了旋转光谱的两个溴同位素的CH2BrI在其振动基态在微波和毫米波区域。傅里叶变换微波谱在25 GHz以下记录到b型跃迁，而在230 GHz以下测量到博塔和b型谱线。观测到的跃迁对应于J ≤ 132和Ka ≤ 14的能级。分子常数，包括那些描述核四极耦合张量为79 Br，81 Br，和127 I准确地确定从最小二乘分析的1873个不同的跃迁频率（其中943属于CH 279 BrI同位素）。从这两组转动常数导出了标题化合物的实验（r0）结构。
Bromoiodomethane, CH2BrI, is a molecule of natural origin emitted in significant amount into the marine boundary layer. It can easily be decomposed by solar radiation, releasing Br and I atoms in the troposphere, which in turn impacts the atmospheric chemistry. Spectroscopy is an invaluable tool to monitor species present in the atmosphere. Since no high-resolution spectroscopic studies are available for this dihalomethane, we have investigated the rotational spectra of the two bromine isotopologues of CH2BrI in its vibrational ground state in the microwave and millimeter-wave regions. Transitions ofb-type have been recorded by Fourier transform microwave spectroscopy below 25 GHz while botha- andb-type spectral lines have been measured below 230 GHz. Observed transitions correspond to energy levels withJ≤ 132 andKa≤ 14. Molecular constants including those describing the nuclear quadrupole coupling tensors for79Br,81Br, and127I were accurately determined from the least-squares analysis of a total of 1873 distinct transition frequencies (of which 943 belong to the CH279BrI isotopologue). An experimental (r0) structure of the title species has been derived from the two sets of rotational constants.