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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.
In: Chemische Berichte, 1988, 121 (7)
doi: 10.26083/tuprints-00022378
Article, Secondary publication, Publisher's Version

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Item Type: Article
Type of entry: Secondary publication
Title: The Electronic Structure of 2-Azapentalenes. Photoelectron Spectroscopic Investigations
Language: English
Date: 2022
Place of Publication: Darmstadt
Year of primary publication: 1988
Publisher: Wiley
Journal or Publication Title: Chemische Berichte
Volume of the journal: 121
Issue Number: 7
DOI: 10.26083/tuprints-00022378
Corresponding Links:
Origin: Secondary publication service
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
Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-223781
Classification DDC: 500 Science and mathematics > 540 Chemistry
Divisions: 07 Department of Chemistry > Clemens-Schöpf-Institut > Organ Chemistry
Date Deposited: 22 Nov 2022 10:32
Last Modified: 21 Apr 2023 11:53
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/22378
PPN: 50715214X
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