Electronic structure of persubstituted benzenes: Caveats

Igor Novak, Branka Kovač, Darko Kontrec, Vitomir Šunjic

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


The He I photoelectron and ultraviolet spectra of persubstituted 1,3-dicyanobenzenes were recorded. The electronic structure of the compounds was analyzed with the aid of empirical arguments and PM3 MO calculations. The caveats related to the analysis of substituent effects were examined, and the variation in ultraviolet intensities was attributed to rotamer populations and N-H-Cl hydrogen bonds.

Original languageEnglish
Pages (from-to)281-286
Number of pages6
JournalJournal of Electron Spectroscopy and Related Phenomena
Issue number3
Publication statusPublished - Sep 2000


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