Infrared spectroscopy of [H<sub>2</sub>O–X<sub><i>n</i></sub>]<sup>+</sup>(<i>n</i>= 1–3, X = N<sub>2</sub>, CO<sub>2</sub>, CO, and N<sub>2</sub>O) radical cation clusters: competition between hydrogen bond and hemibond formation of the water radical cation
Mizuhiro Kominato, Asuka Fujii
Abstract
O) to determine their structural motifs. The competition between the hydrogen bond and hemibond formation is systematically examined based on the firm structure information. The competition is interpreted in terms of the proton affinity (PA) and the ionization potential (IP) of X. The rough ranges of PA and IP for the priority of the hemibond motif are determined. The impact of other factors on the competition is also discussed.
Topics & Concepts
Infrared spectroscopySpectroscopyX-ray spectroscopyInfraredX-ray crystallographyCrystallographyAnalytical Chemistry (journal)ChemistryPhysicsMaterials scienceOpticsDiffractionOrganic chemistryQuantum mechanicsChromatographyAdvanced Chemical Physics StudiesSpectroscopy and Laser ApplicationsAtmospheric chemistry and aerosols