氩-三苯甲酮范德华复合物的微波光谱。

Microwave spectrum of the argon-tropolone van der Waals complex.

机构信息

Department of Natural Sciences and Mathematics, University of Saint Mary, Leavenworth, Kansas 66048, USA.

出版信息

J Phys Chem A. 2009 Nov 26;113(47):13076-80. doi: 10.1021/jp901086a.

PMID:19441806

Abstract

The rotational spectrum of the argon-tropolone van der Waals complex in the ground vibrational state has been measured in the frequency range of 6-17 GHz using a pulsed-jet, Balle-Flygare-type Fourier transform microwave spectrometer. Eighty-six transitions for the complex (Ar-(12)C(7)H(6)(16)O(2)) were observed, assigned, and fit using a Watson A-reduction Hamiltonian giving the rotational and centrifugal distortion constants A = 1080.4365(3) MHz, B = 883.4943(3) MHz, C = 749.0571(2) MHz, Delta(J) = 2.591(2) kHz, Delta(JK) = -3.32(1) kHz, Delta(K) = 5.232(9) kHz, delta(J) = 0.944(1) kHz, and delta(K) = -0.028(8) kHz. The tunneling motion of the hydroxyl proton in the tropolone moiety is quenched in the ground electronic state by complexation with argon. The coordinates of the argon atom in the monomer's principal axis system are a = 0.43 A, b = 0.23 A, and c = 3.48 A.

摘要

在 ground vibrational state 中，氩-色酮范德华复合物的转动光谱已在 6-17GHz 的频率范围内使用脉冲喷射、Balle-Flygare 型傅里叶变换微波光谱仪进行了测量。观察到复合物 (Ar-(12)C(7)H(6)(16)O(2)) 的 86 个跃迁，并用 Watson A-reduction Hamiltonian 进行了分配和拟合，给出了转动和离心畸变常数 A = 1080.4365(3) MHz、B = 883.4943(3) MHz、C = 749.0571(2) MHz、Delta(J) = 2.591(2) kHz、Delta(JK) = -3.32(1) kHz、Delta(K) = 5.232(9) kHz、delta(J) = 0.944(1) kHz 和 delta(K) = -0.028(8) kHz。在基态电子态中，色酮部分的羟基质子的隧道运动通过与氩的络合而被猝灭。氩原子在单体主轴坐标系中的坐标为 a = 0.43 A、b = 0.23 A 和 c = 3.48 A。