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

共 50 条

[21] Parametrically Excited Nonlinear Pneumatic Artificial Muscle Under Hard Excitation: A Theoretical and Experimental Investigation
Kalita, Bhaben
Dwivedy, Santosha K.
INTERNATIONAL JOURNAL OF BIFURCATION AND CHAOS, 2023, 33 (04):
[22] Experimental investigation of photoionization cross section for the 3d 2D excited states of lithium and sodium
Nadeem, Ali
Shah, Mehmood
Shahzada, Shaista
Ahmed, Mushtaq
Sami-ul-Haq
EUROPEAN PHYSICAL JOURNAL D, 2013, 67 (09)
[23] A systematic theoretical investigation of the valence excited states of the diatomic molecules B2, C2, N2 and O2
Müller, T
Dallos, M
Lischka, H
Dubrovay, Z
Szalay, PG
THEORETICAL CHEMISTRY ACCOUNTS, 2001, 105 (03) : 227 - 243
[24] Theoretical study of the vertical excited states of benzene, pyrimidine, and pyrazine by the symmetry adapted cluster-configuration interaction method
Li, Yongjian
Wan, Jian
Xu, Xin
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2007, 28 (10) : 1658 - 1667
[25] Theoretical study on photodissociation dynamics of vibrational excited states of H2S in the first absorption band
Gao, Qian
Chen, Junjie
Hu, Xixi
Xie, Daiqian
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2024, 37 (02) : 221 - 229
[26] Theoretical investigation on properties of the ground and lowest excited states of a red emitter with donor-π-acceptor structure
Liu, Xiaojun
Zhang, Xiao
Hou, Yanbing
Teng, Feng
Lou, Zhidong
CHEMICAL PHYSICS, 2011, 381 (1-3) : 100 - 104
[27] Theoretical investigation of the ground and low-lying excited states of gallium and indium silicides, GaSi and InSi
Tzeli, Demeter
Petsalakis, Ioannis D.
Theodorakopoulos, Giannoula
JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (23)
[28] Excited State Intramolecular Proton Transfer of New Diphenyl-ethylene Derivatives Bearing Imino Group: A Combination of Experimental and Theoretical Investigation
Gao Fang
Zhong Xiaolin
Wang Qi
Li Hongru
Zhang Shengtao
CHINESE JOURNAL OF CHEMISTRY, 2010, 28 (07) : 1057 - 1068
[29] Experimental and Theoretical Investigation on Excited State Intramolecular Proton Transfer Coupled Charge Transfer Reaction of Baicalein
Hu, Shan-shan
Liu, Kun
Ding, Qian-qian
Peng, Wei
Chen, Mao-du
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2014, 27 (01) : 51 - 56
[30] Excited state proton transfer in 2-hydroxypyridine-ammonia clusters: Theoretical investigation
Esboui, M.
Jaidane, N.
Ben Lakhdar, Z.
CHEMICAL PHYSICS LETTERS, 2006, 430 (1-3) : 195 - 203

← 1 2 3 4 5 →