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Electron states of benzene. ..HCl and toluene. ..HCl hydrogen bonded complexes by ultraviolet photoelectron spectroscopy

Ananthavel, SP and Ganguly, B and Chandrasekhar, J and Hegde, MS and Rao, CNR (1994) Electron states of benzene. ..HCl and toluene. ..HCl hydrogen bonded complexes by ultraviolet photoelectron spectroscopy. In: Chemical Physics Letters, 217 (1-2). pp. 101-104.

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Abstract

Electron states of the benzene...HCl complex have been studied by UV photoelectron spectroscopy. Two vertical ionization energies of the complex at 10.84 and 12.10 eV have been assigned to $\pi$ $C_6H_6$ and $n_{C1}$, orbitals, respectively. While the $\pi$ $C_6H_6$ orbital in the complex is shifted by 1.57 eV to higher binding energy, the $n_{C1}$ MO is shifted by 0.63 eV to lower binding energy with reference to the corresponding free benzene and HCl molecules. Ab initio MO calculations confirm these assignments. The toluene . . . HCl complex has also been studied. The larger shifts in then $\pi$ (1.90 eV) and $n_{C1}$ (0.88 eV) orbital energies in the toluene . HCl complex compared to those of the benzene . . . HCl complex are consistent with stronger $\pi$ hydrogen bonding in the case of toluene.

Item Type: Journal Article
Additional Information: The copyright of this article belongs to Elsevier.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Division of Chemical Sciences > Organic Chemistry
Date Deposited: 01 Sep 2006
Last Modified: 19 Sep 2010 04:30
URI: http://eprints.iisc.ernet.in/id/eprint/8130

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