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 the Cl anion by double hydrogen bonds. This structure is compatible with the measured Cl--(C6H6)2 infrared spectrum.
Available at: http://works.bepress.com/berwyck_poad/4/