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.

引用

页数：7

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