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, 121 (7)
doi: 10.26083/tuprints-00022378
Article, Secondary publication, Publisher's Version

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Chemische Berichte - Juli 1988 - Eckert‐Maksi - The Electronic Structure of 2‐Azapentalenes Photoelectron Spectroscopic.pdf
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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

Publisher:

Wiley

Journal or Publication Title:

Chemische Berichte

Volume of the journal:

121

Issue Number:

DOI:

10.26083/tuprints-00022378

Corresponding Links:

Publisher-DOI

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 Abstract

Language

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: