Infrared spectra of Cl-_(C6H6)mM=1, 2

Authors

Christopher D. Thompson, University Of Melbourne
Berwyck L. J Poad, University of WollongongFollow
Corinna Emmeluth, University Of Melbourne
Evan J. Bieske, University Of Melbourne

RIS ID

72176

Publication Details

Thompson, C. D., Poad, B. L. J., Emmeluth, C. & Bieske, E. J. (2006). Infrared spectra of Cl-_(C6H6)mM=1, 2. Chemical Physics Letters, 428 (1-3), 18-22.

Abstract

The Cl^--(C₆H₆)Ar_n 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 the Cl anion by double hydrogen bonds. This structure is compatible with the measured Cl^--(C₆H₆)₂ infrared spectrum.