Halogens in competition: Electronic structure of mixed dihalobenzenes

Please use this identifier to cite or link to this item: https://doi.org/10.1021/jp044354e

Title:	Halogens in competition: Electronic structure of mixed dihalobenzenes
Authors:	Novak, I. Kovač, B.
Issue Date:	21-Apr-2005
Citation:	Novak, I., Kovač, B. (2005-04-21). Halogens in competition: Electronic structure of mixed dihalobenzenes. Journal of Physical Chemistry A 109 (15) : 3318-3324. ScholarBank@NUS Repository. https://doi.org/10.1021/jp044354e
Abstract:	The electronic structure of all isomeric dihalobenzeoes C6H 4XY (X, Y = Cl, Br, I) has been investigated by HeI/HeII photoelectron spectroscopy, Green's functions calculations, and comparison with the spectra of related dihalobenzenes C6H4X2(X = Cl, Br, I). The careful analysis of measured π orbital and halogen lone pair ionization energies enabled us to describe substituent effects in terms of resonance, inductive, steric, and spin-orbit coupling interactions. © 2005 American Chemical Society.
Source Title:	Journal of Physical Chemistry A
URI:	http://scholarbank.nus.edu.sg/handle/10635/93913
ISSN:	10895639
DOI:	10.1021/jp044354e
Appears in Collections:	Staff Publications

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