Dicarbonyls of Carbon and Methylidyne Cations

J Phys Chem A. 2017 Apr 20;121(15):2903-2910. doi: 10.1021/acs.jpca.7b00739. Epub 2017 Apr 6.

Abstract

The carbon suboxide cation C3O2+ and the protonated carbon suboxide HC3O2+/DC3O2+ were produced in the gas phase. The vibrational spectra were measured via infrared photodissociation spectroscopy of their argon- or CO-tagged complexes. Spectroscopic evidence combined with state-of-the-art quantum chemical calculations indicate that both cations have a bent C2v symmetry and can be designated as dicarbonyls of a carbon cation and methylidyne cation, respectively.