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Infrared Spectra Of Mass-Selected Al+_(Ch4)Nn=1-6clusters, B Poad, C Thompson, E Bieske
Infrared Spectra Of Mass-Selected Al+_(Ch4)Nn=1-6clusters, B Poad, C Thompson, E Bieske
Berwyck L. J. Poad
Infrared spectra are recorded for Al+–(CH4)n n = 1–6 clusters in the CH stretch region (2800–3100 cm−1). The spectra, which are obtained by monitoring photofragmentation in a tandem mass spectrometer, are dominated by a single, narrow band corresponding to the totally symmetric C–H stretching mode of the CH4 subunits (rendered infrared active through the interaction with the Al+ cation). This band shifts progressively to higher wavenumber as the clusters becomes larger, concomitant with a weakening of the intermolecular Al+⋯CH4 bonds. Supporting ab initio calculations for the n = …
Infrared Spectra Of Cl-_(C6h6)Mm=1, 2, Christopher Thompson, Berwyck Poad, Corinna Emmeluth, Evan Bieske
Infrared Spectra Of Cl-_(C6h6)Mm=1, 2, Christopher Thompson, Berwyck Poad, Corinna Emmeluth, Evan Bieske
Berwyck L. J. Poad
The Cl--(C6H6)Arn n = 0,1,2 and Cl--(C6H6)2 complexes are investigated using photodissociation infrared spectroscopy in the CH stretch region and through ab initio calculations at the MP2/aug-cc-pVDZ level. The results indicate that Cl--C6H6 possesses a planar structure in which the benzene molecule is attached to the Cl- anion by a double hydrogen bond. The calculations predict that Cl (C6H6)2 has a C2 symmetry structure in which the two face-to-face benzene molecules are attached to …