Journal ArticleDOI
The electronic structure of substituted benzenes: ab initio calculations and photoelectron spectra for benzonitrile, the tolunitriles, fluorobenzonitriles, dicyanobenzenes and ethynylbenzene
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TLDR
In this article, the photoelectron spectra of the title compounds have been investigated by He(I) and He(II) photoelectric spectroscopy and by ab initio MO calculations.About:
This article is published in Journal of Molecular Structure.The article was published on 1980-02-01. It has received 22 citations till now. The article focuses on the topics: Ab initio & Ab initio quantum chemistry methods.read more
Citations
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30.4-nm He(II) photoelectron spectra of organic molecules
Gerhard Bieri,Leif Åsbrink +1 more
Journal ArticleDOI
30.4-nm He (II) photoelectron spectra of organic molecules: Part VII. Miscellaneous compounds☆
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Proximity Effects in Organic Chemistry—The Photoelectron Spectroscopic Investigation of Non‐Bonding and Transannular Interactions
TL;DR: In this article, photoelectron spectroscopy has proven an informative and valuable extension to other methods, since orbital interactions are involved in most intramolecular effects of this kind.
Journal ArticleDOI
Optimized Electron Transfer in Charge-Transfer Ion Pairs. Pronounced Inner-Sphere Behavior of Olefin Donors
TL;DR: In this article, a tunable, high-power pump-probe spectrometer based on a Ti:sapphire laser with 250-fs resolution was proposed for time-resolved (fs) spectroscopy.
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Proximitätseffekte in der Organischen Chemie — Die photoelektronenspektroskopische Untersuchung nichtbindender und transanularer Wechselwirkungen
TL;DR: In this article, aussagekraftige and wertvolle Erganzung der and other methoden erwiesen is discussed. But, in this paper, we focus on the photo-elektronenspektroskopie.
References
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Journal ArticleDOI
Molecular orbital theory of the electronic structure of organic compounds. XII. Conformations, stabilities, and charge distributions in monosubstituted benzenes
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Valence Ionization Energies of Hydrocarbons
TL;DR: In this paper, the experimental valence ionisation energies of 143 hydrocarbons, CnHm, have been determined from their He (IIα) (40.80 eV) and He (Iα)(21.22 eV)-excited photoelectron spectra.
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Molecular orbital theory of the electronic structure of organic compounds. III. Ab initio studies of charge distribution using a minimal Slater-type basis
Warren J. Hehre,John A. Pople +1 more
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Photoelectron Spectra of Substituted Benzenes
TL;DR: In this paper, photo-electron spectra were measured in the region between 6 and 21 eV for aniline, N, N-dimethylaniline and phenol.