Electronic structure of persubstituted benzenes: Caveats

Igor Novak; Branka Kovač; Darko Kontrec; Vitomir Šunjic

doi:10.1016/S0368-2048(00)00175-4

Electronic structure of persubstituted benzenes: Caveats

Igor Novak, Branka Kovač, Darko Kontrec, Vitomir Šunjic

Agriculture and Wine Science

Research output: Contribution to journal › Article

3 Citations (Scopus)

Abstract

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 language	English
Pages (from-to)	281-286
Number of pages	6
Journal	Journal of Electron Spectroscopy and Related Phenomena
Volume	109
Issue number	3
DOIs	https://doi.org/10.1016/S0368-2048(00)00175-4
Publication status	Published - Sep 2000

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Novak, I., Kovač, B., Kontrec, D., & Šunjic, V. (2000). Electronic structure of persubstituted benzenes: Caveats. Journal of Electron Spectroscopy and Related Phenomena, 109(3), 281-286. https://doi.org/10.1016/S0368-2048(00)00175-4

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abstract = "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.",

author = "Igor Novak and Branka Kova{\v c} and Darko Kontrec and Vitomir {\v S}unjic",

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AU - Kovač, Branka

AU - Kontrec, Darko

AU - Šunjic, Vitomir

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