Inside Cover: The Optical Spectrum of Au2+ (Angew. Chem. Int. Ed. 48/2020). Issue 48 (13th October 2020)

• Record Type: Journal Article
• Authors: Förstel, Marko; Pollow, Kai Mario; Saroukh, Karim; Najib, Este Ainun; Mitric, Roland; Dopfer, Otto
• Is Part Of: Angewandte Chemie international edition. Volume 59:Issue 48(2020)
• Page Start: 21250
• Page End: 21250
• Publication Date: 2020-10-13
• Subjects: cations -- electronic structure calculations -- gold -- optical spectroscopy -- photodissociation; Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.202013216
• Languages: English
• ISSNs: 1433-7851

Abstract

Abstract : The first optical spectrum of Au2 + 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 H2 + ‐like diatomic radical cation of catalytic relevance requires sophisticated treatment including multireference methods, spin–orbit coupling, and relativistic corrections.