Halogens in Competition: Electronic Structure of Mixed Dihalobenzenes

Igor Novak; Branka Kovac

doi:10.1021/jp044354e

Halogens in Competition: Electronic Structure of Mixed Dihalobenzenes

Igor Novak, Branka Kovac

Research output: Contribution to journal › Article

14 Citations (Scopus)

Abstract

The electronic structure of all isomeric dihalobenzenes C6H4XY (X, Y ) Cl, Br, I) has been investigated byHeI/HeII photoelectron spectroscopy, Green's functions calculations, and comparison with the spectra ofrelated dihalobenzenes C6H4X2 (X ) Cl, Br, I). The careful analysis of measured Ã° orbital and halogen lonepair ionization energies enabled us to describe substituent effects in terms of resonance, inductive, steric, andspin-orbit coupling interactions.

Original language	English
Pages (from-to)	3318-3324
Number of pages	7
Journal	Journal of Physical Chemistry A
Volume	109
Issue number	15
DOIs	https://doi.org/10.1021/jp044354e
Publication status	Published - 2005

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Novak, I., & Kovac, B. (2005). Halogens in Competition: Electronic Structure of Mixed Dihalobenzenes. Journal of Physical Chemistry A, 109(15), 3318-3324. https://doi.org/10.1021/jp044354e

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title = "Halogens in Competition: Electronic Structure of Mixed Dihalobenzenes",

abstract = "The electronic structure of all isomeric dihalobenzenes C6H4XY (X, Y ) Cl, Br, I) has been investigated byHeI/HeII photoelectron spectroscopy, Green's functions calculations, and comparison with the spectra ofrelated dihalobenzenes C6H4X2 (X ) Cl, Br, I). The careful analysis of measured {\~A}° orbital and halogen lonepair ionization energies enabled us to describe substituent effects in terms of resonance, inductive, steric, andspin-orbit coupling interactions.",

keywords = "Halobenzenes, Photoelectron spectroscopy",

author = "Igor Novak and Branka Kovac",

note = "Imported on 12 Apr 2017 - DigiTool details were: Journal title (773t) = The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. ISSNs: 1089-5639; ",

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T2 - Electronic Structure of Mixed Dihalobenzenes

AU - Novak, Igor

AU - Kovac, Branka

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PY - 2005

Y1 - 2005

N2 - The electronic structure of all isomeric dihalobenzenes C6H4XY (X, Y ) Cl, Br, I) has been investigated byHeI/HeII photoelectron spectroscopy, Green's functions calculations, and comparison with the spectra ofrelated dihalobenzenes C6H4X2 (X ) Cl, Br, I). The careful analysis of measured Ã° orbital and halogen lonepair ionization energies enabled us to describe substituent effects in terms of resonance, inductive, steric, andspin-orbit coupling interactions.

AB - The electronic structure of all isomeric dihalobenzenes C6H4XY (X, Y ) Cl, Br, I) has been investigated byHeI/HeII photoelectron spectroscopy, Green's functions calculations, and comparison with the spectra ofrelated dihalobenzenes C6H4X2 (X ) Cl, Br, I). The careful analysis of measured Ã° orbital and halogen lonepair ionization energies enabled us to describe substituent effects in terms of resonance, inductive, steric, andspin-orbit coupling interactions.

KW - Halobenzenes

KW - Photoelectron spectroscopy

U2 - 10.1021/jp044354e

DO - 10.1021/jp044354e

M3 - Article

VL - 109

SP - 3318

EP - 3324

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

SN - 1089-5639

IS - 15

ER -