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 language | English |
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Pages (from-to) | 3318-3324 |
Number of pages | 7 |
Journal | Journal of Physical Chemistry A |
Volume | 109 |
Issue number | 15 |
DOIs | |
Publication status | Published - 2005 |