Cl(H)振动光谱中的强邻位/对位效应。

Strong ortho/para effects in the vibrational spectrum of Cl(H).

作者信息

Dahlmann Franziska, Lochmann Christine, Marimuthu Aravindh N, Lara-Moreno Miguel, Stoecklin Thierry, Halvick Philippe, Raoult Maurice, Dulieu Olivier, Wild Robert, Schlemmer Stephan, Brünken Sandra, Wester Roland

机构信息

Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstraße 25, 6020 Innsbruck, Austria.

FELIX Laboratory, Institute for Molecules and Materials, Radboud University, Toernooiveld 7, 6525 ED Nijmegen, The Netherlands.

出版信息

J Chem Phys. 2021 Dec 28;155(24):241101. doi: 10.1063/5.0073749.

DOI:10.1063/5.0073749

PMID:34972371

Abstract

The predissociation spectrum of the Cl-35(H) complex is measured between 450 and 800 cm in a multipole radiofrequency ion trap at different temperatures using the FELIX infrared free electron laser. Above a certain temperature, the removal of the Cl(p-H) para nuclear spin isomer by ligand exchange to the Cl(o-H) ortho isomer is suppressed effectively, thereby making it possible to detect the spectrum of this more weakly bound complex. At trap temperatures of 30.5 and 41.5 K, we detect two vibrational bands of Cl(p-H) at 510(1) and 606(1) cm. Using accurate quantum calculations, these bands are assigned to transitions to the inter-monomer vibrational modes (v,v ) = (0, 2) and (1, 2), respectively.

摘要

使用费利克斯红外自由电子激光，在多极射频离子阱中于不同温度下测量了Cl-35(H)络合物在450至800厘米之间的预解离光谱。在一定温度以上，通过配体交换将Cl(p-H)仲核自旋异构体转化为Cl(o-H)邻位异构体的过程被有效抑制，从而能够检测到这种结合较弱的络合物的光谱。在阱温度为30.5和41.5 K时，我们在510(1)和606(1)厘米处检测到Cl(p-H)的两个振动带。通过精确的量子计算，这些带分别被指定为向单体间振动模式(v,v ) = (0, 2)和(1, 2)的跃迁。