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Interactions Between The Chloride Anion And Aromatic Molecules: Infrared Spectra Of The Cl-_C6h5ch3, Cl-_C6h5nh2 And Cl-_C6h5oh Complexes, Corinna Emmeluth, Berwyck L. J Poad, Christopher D. Thompson, Evan J. Bieske
Interactions Between The Chloride Anion And Aromatic Molecules: Infrared Spectra Of The Cl-_C6h5ch3, Cl-_C6h5nh2 And Cl-_C6h5oh Complexes, Corinna Emmeluth, Berwyck L. J Poad, Christopher D. Thompson, Evan J. Bieske
Berwyck L. J. Poad
The Cl-−C6H5CH3·Ar, Cl-−C6H5NH2·Ar, and Cl-−C6H5OH·Ar anion complexes are investigated using infrared photodissociation spectroscopy and ab initio calculations at the MP2/aug-cc-pVDZ level. The results indicate that for Cl-−C6H5NH2 and Cl-−C6H5OH, the Cl- anion is attached to the substituent group by a single near-linear hydrogen bond. For Cl-−C6H5CH3, the Cl- is attached to an ortho-hydrogen atom on the aromatic ring and to a hydrogen atom on the methyl group by a weaker hydrogen bond. The principal spectroscopic consequence of the hydrogen-bonding interaction in the three complexes is a red-shift and intensity increase for the CH, NH, and OH stretching modes. Complexities in …
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 …