一氧化碳E(1)Π态预解离的同位素依赖性

Isotopic dependence of the predissociations of the E(1)Π state of CO.

作者信息

Lefebvre-Brion H, Majumder M

机构信息

Institut des Sciences Moléculaires d'Orsay (ISMO), Bât. 213, Université Paris-Sud, 91405 Orsay Cedex, France.

Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409-0010, USA.

出版信息

J Chem Phys. 2015 Apr 28;142(16):164306. doi: 10.1063/1.4918910.

DOI:10.1063/1.4918910

PMID:25933763

Abstract

The predissociations of the E(1)Π state of CO are again studied. They include both the background predissociation attributed to the continuum of the A(1)Π state and the accidental predissociation due to the k(3)Π state. They are calculated using a coupled equations method. The three components of the k state are introduced. These predissociations are studied for different isotopologues and are shown to decrease with increasing reduced mass, in agreement with the experimental results of Ubachs et al. [J. Chem. Phys. 113, 547 (2000)].

摘要

再次研究了CO的E(1)Π态的预解离。它们包括归因于A(1)Π态连续区的背景预解离以及由于k(3)Π态导致的意外预解离。使用耦合方程方法进行计算。引入了k态的三个分量。针对不同的同位素异构体研究了这些预解离，并表明其随着折合质量的增加而降低，这与Ubachs等人[《化学物理杂志》113, 547 (2000)]的实验结果一致。