Halogens in Competition: Electronic Structure of Mixed Dihalobenzenes

Igor Novak, Branka Kovac

Research output: Contribution to journalArticle

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 ð orbital and halogen lonepair ionization energies enabled us to describe substituent effects in terms of resonance, inductive, steric, andspin-orbit coupling interactions.
Original languageEnglish
Pages (from-to)3318-3324
Number of pages7
JournalJournal of Physical Chemistry A
Volume109
Issue number15
DOIs
Publication statusPublished - 2005

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