Experimental and theoretical investigation of excited g-symmetry states of Cu2

被引：0
|
作者：
Zhang, Q. [1 ]
Bornhauser, P. [1 ]
Knopp, G. [1 ]
Radi, P. P. [1 ]
Harmant, G. [2 ]
Marquardt, R. [2 ]
机构：
[1] Paul Scherrer Inst, CH-5232 Villigen, Switzerland
[2] Univ Strasbourg, Inst Chim, Lab Chim Quant, UMR 7177,CNRS, 4 Rue Blaise Pascal,CS90032, F-67081 Strasbourg, France
来源：
CHEMICAL PHYSICS LETTERS | 2022年 / 803卷
基金：
瑞士国家科学基金会;
关键词：
Transition metal dimers; Spectroscopy; Double; -resonance; Four -wave mixing; Perturbation; Excited states; High-level ab initio computation; ELECTRONIC STATES; EMISSION; DISSOCIATION;
D O I：
10.1016/j.cplett.2022.139822
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A new set of rovibronic terms in the range between similar to 37000 and 39000 cm- 1 is reported for the copper dimer isotopologues 63Cu2 and 63Cu65Cu. These terms were measured by two-color four-wave mixing spectroscopy yielding rotationally resolved vibronic bands at a resolution similar to 0.04 cm-1. The complex spectral structure is analyzed and a tentative assignment of a new electronic state of gerade symmetry named {36.9}0+g is proposed. The assignment is corroborated by ab initio calculations carried out at the multi-reference configuration interaction level of theory.
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页数：7
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