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The Electronic Structure of 2-Azapentalenes. Photoelectron Spectroscopic Investigations

Eckert-Maksić, Mirjana ; Gleiter, Rolf ; Hafner, Klaus ; Kläs, Heinz-Gerd (2022):
The Electronic Structure of 2-Azapentalenes. Photoelectron Spectroscopic Investigations. (Publisher's Version)
In: Chemische Berichte, 121 (7), pp. 1219-1223. Wiley, e-ISSN 1099-0682,
DOI: 10.26083/tuprints-00022378,
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Chemische Berichte - Juli 1988 - Eckert‐Maksi - The Electronic Structure of 2‐Azapentalenes Photoelectron Spectroscopic.pdf
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Status: Publisher's Version
Title: The Electronic Structure of 2-Azapentalenes. Photoelectron Spectroscopic Investigations
Language: English
Abstract:

The He(I) photoelectron spectra of eight 2-azapentalenes, substituted in 1,3-position by electron releasing groups (dimethylamino, ethoxy, and tert-butyl) revealed that the first four ionization energies (6.4–9.3 eV) are due to ionziation from π MO's. This assignment is based on the comparison with the PE data of 1,3-bis(dimethylamino)pentalene (10) and the results of MNDO calculations. The comparison between experiment and calculations suggests that the first two bands are due to ionizations from π MO's mainly localized in the pentalene moiety.

Alternative Abstract:
Alternative AbstractLanguage

Die He(1)-Photoelektronen-Spektren von acht in 1,3-Position durch elektronenabgebende Gruppen substituierten 2-Azapentalenen (Dimethylamino-, Ethoxy- und tert-Butylgruppe) ergaben, daß die ersten vier Ionisierungsenergien (6.4-9.3 eV) durch Ionisierungen aus π-MOs herrühren. Diese Zuordnung basiert auf dem Vergleich mit den PE-Daten von 1,3-Bis(dimethylamino)-pentalen (10) und mit den Resultaten von MNDO-Rechnungen. Der Vergleich zwischen Experiment und Rechnung legt nahe, daß die ersten beiden PE-Banden von π-MOs stammen, die hauptsiichlich im Pentalen-Teil lokalisiert sind.

German
Journal or Publication Title: Chemische Berichte
Volume of the journal: 121
Issue Number: 7
Place of Publication: Darmstadt
Publisher: Wiley
Classification DDC: 500 Naturwissenschaften und Mathematik > 540 Chemie
Divisions: 07 Department of Chemistry > Organ Chemistry
Date Deposited: 22 Nov 2022 10:32
Last Modified: 22 Nov 2022 10:32
DOI: 10.26083/tuprints-00022378
Corresponding Links:
URN: urn:nbn:de:tuda-tuprints-223781
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/22378
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