Halogens in competition: electronic structure of mixed dihalobenzenes |
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| Authors: | Novak Igor Kovac Branka |
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| Institution: | Department of Chemistry, National University of Singapore, Singapore 117543, Singapore. chmigorn@nus.edu.sg |
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| Abstract: | The electronic structure of all isomeric dihalobenzenes C6H4XY (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 pi orbital and halogen lone pair ionization energies enabled us to describe substituent effects in terms of resonance, inductive, steric, and spin-orbit coupling interactions. |
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