Rotational spectra, structure, and intramolecular force field of the Hg–OCS van der Waals complex
Rotational spectra, structure, and intramolecular force field of the Hg–OCS van der Waals complex
复制标题
Hg-OCS范德华配合物的旋转光谱、结构和分子内力场
DOI：
10.1063/1.460232
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发表时间：
1991
影响因子：
4.4
通讯作者：
Y. Endo
中科院分区：
文献类型：
--
作者：
M. Iida;Y. Ohshima;Y. Endo
汞-硫化羰络合物的纯转动光谱已经通过最近建造的脉冲喷嘴傅里叶变换微波光谱仪观察到。发现该配合物的结构是T形的，这与类似于该系统的稀有气体-羰基硫配合物相同。由转动常数确定了202 Hg-OCS的汞碳距离和Hg-C-O角分别为3.7075（2）和86.98（1）度。由离心畸变常数导出了货车范德华模的谐力常数。还测定了~（201）Hg-OCS的电四极耦合常数，其值表明络合物的形成对汞原子的电荷分布有很小的扰动。
Pure rotational spectra of the mercury–carbonyl sulfide complex have been observed by a pulsed‐nozzle Fourier‐transform microwave spectrometer, which has been recently constructed. The structure of the complex is found to be T‐shaped, which is the same as the rare‐gas–carbonyl sulfide complexes analogous to this system. The mercury–carbon distance and the Hg–C–O angle have been determined to be 3.7075(2) A and 86.98(1) deg, respectively, for 202Hg–OCS from the rotational constants. Harmonic force constants of the van der Waals modes have been derived by the centrifugal distortion constants. The electric quadrupole coupling constants for 201Hg–OCS have also been determined and the values indicate small perturbation on the electric charge distribution of the mercury atom by complex formation.