Submillimeter-Wave Spectra of H2Cl+ and its Isotopic Species: Molecular Structure
Submillimeter-Wave Spectra of H2Cl+ and its Isotopic Species: Molecular Structure
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H2Cl 及其同位素种类的亚毫米波谱：分子结构
DOI：
10.1006/jmsp.2001.8450
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发表时间：
2001
影响因子：
1.4
通讯作者：
S. Saito
中科院分区：
文献类型：
--
作者：
M. Araki;T. Furuya;S. Saito
利用源调制亚毫米波光谱仪在180~550 GHz频率范围内测量了HD35Cl+、H235Cl2和H237Cl2的转动光谱。离子是在自由空间吸收池中通过空心阴极放电在加入H2和/或D2的Cl2和He混合气体中产生的。测定了这三个物种的精确分子常数，包括电四极耦合常数。零点平均结构rz是由经调和项校正的转动惯量计算得出的。根据先前估计的简谐振动频率和惯性缺陷，得到了H2-Cl+的简谐力场。得到H2 35Cl+的rz结构为rz(Cl-H)=1.320 57(48)A，θz(H-Cl-H)=94.238(72)°；H2 37Cl+的rz结构为rz(Cl-H)=1.320 60(38)A，θz(H-Cl-H)=94.239(58)°。当Hd35Cl+的θz与H235Cl+相同时，其rz(Cl-H)和rz(ClD)长度分别为1.320 69(69)A和1.316 54(111)A。
Abstract The rotational spectra of HD 35 Cl + , H 2 35 Cl + , and H 2 37 Cl + were measured in the frequency region of 180 to 550 GHz with a source-modulated submillimeter-wave spectrometer. The ions were generated in a free space absorption cell by a hollow-cathode discharge in a gas mixture of Cl 2 and He to which H 2 and/or D 2 was added. Precise molecular constants including the electric quadrupole coupling constants were determined for the three species. The zero-point average structure, r z , was calculated from moments of inertia corrected for harmonic terms. The harmonic force field of H 2 Cl + was derived from previously estimated harmonic vibrational frequencies and inertial defects. The r z structures obtained are r z (Cl–H)=1.320 57(48) A and θ z (H–Cl–H)=94.238(72)° for H 2 35 Cl + and r z Cl–H)=1.320 60(38) A and θ z (H–Cl–H)=94.239(58)° for H 2 37 Cl + , where values in parentheses indicate errors due to residual inertial defects among the corrected moments of inertia. When the θ z of HD 35 Cl + is assumed to be the same as that of H 2 35 Cl + , the r z (Cl–H) and r z (Cl–D) lengths of HD 35 Cl + are calculated to be 1.320 69(69) A and 1.316 54(111) A, respectively.