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Title:Infrared Spectroscopy Of Titanium Cation Acetylene Complexes: Cation-π Complexes Vs Reacted Structures
Author(s):Batchelor, Anna G
Contributor(s):Duncan, Michael A; Marks, Joshua H
Subject(s):Non-covalent interactions
Abstract:Titanium cation-acetylene complexes are investigated with infrared photodissociation spectroscopy to study latent reactivity. Ti$^{+}$(C$_{2}$H$_{2}$)$_{n}$ complexes are produced via laser vaporization of a titanium rod in a supersonic expansion of argon containing acetylene. Argon-tagged complexes are mass selected in a time-of-flight mass spectrometer and their spectra are measured in the C-H stretching region with infrared laser photodissociation. These spectra are assigned with the aid of B3LYP/Def2TZVP computations. The presence of reacted structures and cation-$\pi$ structures is investigated by comparing experiment to theory.
Issue Date:2021-06-24
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

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