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Inside Cover: The Optical Spectrum of Au 2 + (Angew. Chem. Int. Ed. 48/2020)
Author(s) -
Förstel Marko,
Pollow Kai Mario,
Saroukh Karim,
Najib Este Ainun,
Mitric Roland,
Dopfer Otto
Publication year - 2020
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202013216
Subject(s) - diatomic molecule , cover (algebra) , electronic structure , photodissociation , physics , spectrum (functional analysis) , atomic physics , chemistry , quantum mechanics , photochemistry , molecule , mechanical engineering , engineering
The first optical spectrum of Au 2 + derived by electronic photodissociation is analysed with quantum‐chemical calculations by M. Förstel, R. Mitric, O. Dopfer, and co‐workers in the Communication on page 21403. The high‐resolution spectrum displays highly irregular vibronic structure as a result of multiple strongly coupled electronic states. Understanding the electronic structure of this seemingly simple H 2 + ‐like diatomic radical cation of catalytic relevance requires sophisticated treatment including multireference methods, spin–orbit coupling, and relativistic corrections.