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.

PDF Electron_states-229.pdf Restricted to Registered users only Download (351Kb) | Request a copy

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

Actions (login required)

View Item