Ultraviolet photoelectron spectroscopy of complexes of bromine with n-donors in the vapor phase

Ananthavel, SP and Ammal, Salai Cheettu S and Venuvanalingam, P and Chandrasekhar, J and Hegde, MS (1994) Ultraviolet photoelectron spectroscopy of complexes of bromine with n-donors in the vapor phase. In: Chemical Physics Letters, 228 (4-5). pp. 431-435.

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Abstract

He I photoelectron spectra of gas-phase complexes formed by $Br_2$ with diethyl ether and diethyl sulphide have been studied and interpreted using ab initio MO calculations. The key spectral features are assigned to the highest occupied molecular orbitals derived from $Br_2$ and the donor molecule whose ionization potentials are shifted to lower and higher binding energies, respec- tively. All-electron and effective core potential calculations yield a $C_{2v}$ structure for $Et_2O$...$Br_2$ and a $C_s$ form for $Et_2S$...$Br_2$. The nature and magnitude of the interactions are found to be comparable as reflected by the computed binding energy and quantum of charge transfer.

Item Type:	Journal Article
Publication:	Chemical Physics Letters
Publisher:	Elsevier
Additional Information:	The copyright belongs to Elsevier.
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit Division of Chemical Sciences > Organic Chemistry
Date Deposited:	14 Jun 2006
Last Modified:	19 Sep 2010 04:29
URI:	http://eprints.iisc.ac.in/id/eprint/7637

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