氢气和金之间的共价相互作用：H-AuCl 的旋转光谱研究。
The covalent interaction between dihydrogen and gold: A rotational spectroscopic study of H-AuCl.
机构信息
Department of Chemistry, Hall-Atwater Laboratories, Wesleyan University, 52 Lawn Ave., Middletown, Connecticut 06459, USA.
Department of Chemistry, Missouri University of Science and Technology, 400 W. 11th Street, Rolla, Missouri 65409, USA.
出版信息
J Chem Phys. 2017 May 28;146(20):204302. doi: 10.1063/1.4983042.
The pure rotational transitions of H-AuCl have been measured using a pulsed-jet cavity Fourier transform microwave spectrometer equipped with a laser ablation source. The structure was found to be T-shaped, with the H-H bond interacting with the gold atom. Both Cl and Cl isotopologues have been measured for both ortho and para states of H. Rotational constants, quartic centrifugal distortion constants, and nuclear quadrupole coupling constants for gold and chlorine have been determined. The use of the nuclear spin-nuclear spin interaction terms D, D, and D for H were required to fit the ortho state of hydrogen, as well as a nuclear-spin rotation constant C. The values of the nuclear quadrupole coupling constant of gold are χ=-817.9929(35) MHz, χ=504.0(27) MHz, and χ=314.0(27). This is large compared to the eQq of AuCl, 9.63 312(13) MHz, which indicates a strong, covalent interaction between gold and dihydrogen.
使用配备有激光烧蚀源的脉冲喷射腔傅里叶变换微波光谱仪，测量了 H-AuCl 的纯旋转跃迁。结构被发现为 T 形，其中 H-H 键与金原子相互作用。对于 H 的正和仲态，都已经测量了 Cl 和 Cl 同位素。已经确定了金和氯的旋转常数、四次离心畸变常数和核四极耦合常数。需要使用核自旋-核自旋相互作用项 D、D 和 D 来拟合氢的正态，以及核自旋旋转常数 C。金的核四极耦合常数的值为 χ=-817.9929(35)MHz、χ=504.0(27)MHz 和 χ=314.0(27)MHz。与 AuCl 的 eQq 相比，这是很大的，9.63312(13)MHz，这表明金与二氢之间存在强烈的共价相互作用。
Zotero 插件