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|Title:||Electronic structure of persubstituted benzenes: Caveats|
|Authors:||Novak, I. |
|Citation:||Novak, I., Kovač, B., Kontrec, D., Šunjic, V. (2000-09). Electronic structure of persubstituted benzenes: Caveats. Journal of Electron Spectroscopy and Related Phenomena 109 (3) : 281-286. ScholarBank@NUS Repository. https://doi.org/10.1016/S0368-2048(00)00175-4|
|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.|
|Source Title:||Journal of Electron Spectroscopy and Related Phenomena|
|Appears in Collections:||Staff Publications|
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