Infrared spectroscopy of Be(CO2)4+ in the gas phase: electron transfer and C–C coupling of CO2. Issue 21 (19th May 2022)

• Record Type: Journal Article
• Authors: Yang, Yang; Zhou, Yangyu; Jin, Xiaoyang; Wang, Guanjun; Zhou, Mingfei
• Is Part Of: Physical chemistry chemical physics. Volume 24:Issue 21(2022)
• Page Start: 13149
• Page End: 13155
• Publication Date: 2022-05-19
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/d2cp01788a
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : Infrared spectroscopy and theoretical calculations confirm that the Be(CO2 )4 + complex exists as two structural isomers. One involves a bent η 1 -O coordinated CO2 − ligand and the other has a metal oxalate C2 O4 − moiety. Abstract : Beryllium–carbon dioxide cation complexes Be(CO2 ) n + are produced by a laser vaporization-supersonic expansion ion source in the gas phase. Mass-selected infrared photodissociation spectroscopy supplemented by theoretical calculations confirms that Be(CO2 )4 + is a coordination saturated complex that can be assigned to a mixture of two isomers. The first structure involves a bent CO2 − ligand that is bound in a monodentate η 1 -O coordination mode. Another isomer has a metal oxalate-type C2 O4 − moiety with a C–C hemibond.