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Title:Cation-π and CH-π interactions in the coordination and solvation of Cu+ (acetylene)n (n=1-6) complexes investigated via infrared photodissociation spectroscopy
Author(s):Brathwaite, Antonio David
Contributor(s):Duncan, Michael A; WARD, TIMOTHY B; Walters, Richard S.
Subject(s):Metal containing
Abstract:Mass-selected copper-acetylene cation complexes of the form Cu(C$_{2}$H$_{2}$)$_{n}$+ are produced by laser ablation and studied via infrared laser photodissociation spectroscopy in the C-H stretching region (3000-3500 wn). Spectra for larger species are measured via ligand elimination, whereas argon tagging is employed to enhance dissociation yields in smaller complexes. The number of infrared active bands, their frequency positions and their relative intensities provide insight into the structure and bonding of these ions. Density functional theory calculations are carried out in support of this work. The combined data show that cation-$pi$ bonds are formed for the n=1-3 species, resulting in red-shifted C-H stretches on the acetylene ligands. Three acetylene ligands complete the coordination of the copper cation. Additional ligands (n=4-6) solvate the n=3 core by forming CH-$pi$ bonds. Distinctive vibrational patterns are exhibited for coordinated vs. solvent ligands. Theory reproduces these results.
Issue Date:25-Jun-15
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:ACS
Date Available in IDEALS:2016-01-05

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