Electronic structure of metallacyclophosphazene and metallacyclothiazene complexes

Sundermann A, Schoeller W (1999)
INORGANIC CHEMISTRY 38(26): 6261-6270.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
Download
Es wurden keine Dateien hochgeladen. Nur Publikationsnachweis!
Autor*in
Sundermann, A; Schoeller, WolfgangUniBi
Abstract / Bemerkung
The electronic structure of metallacyclotriphosphazene complexes with several substituents at the phosphorus atoms and metallacyclothiazene complexes is explored for a variety of transition metal elements using density functional theory methods. Accordingly the metallacyclophosphazenes possess a large HOMO-LUMO energy separation while the metallacyclothiazenes bear stronger open-shell character. In addition our calculations predict the existence of experimentally so far unknown dimetallacyclophosphazenes. All structures show to be highly dynamical. The double bond character of the transition metal nitrogen bond is much less pronounced than in nitrido or imido complexes. For the ring compounds vibrational spectra are reported and compared with experimental data.
Erscheinungsjahr
1999
Zeitschriftentitel
INORGANIC CHEMISTRY
Band
38
Ausgabe
26
Seite(n)
6261-6270
ISSN
0020-1669
eISSN
1520-510X
Page URI
https://pub.uni-bielefeld.de/record/1620938

Zitieren

Sundermann A, Schoeller W. Electronic structure of metallacyclophosphazene and metallacyclothiazene complexes. INORGANIC CHEMISTRY. 1999;38(26):6261-6270.
Sundermann, A., & Schoeller, W. (1999). Electronic structure of metallacyclophosphazene and metallacyclothiazene complexes. INORGANIC CHEMISTRY, 38(26), 6261-6270. https://doi.org/10.1021/ic990956e
Sundermann, A, and Schoeller, Wolfgang. 1999. “Electronic structure of metallacyclophosphazene and metallacyclothiazene complexes”. INORGANIC CHEMISTRY 38 (26): 6261-6270.
Sundermann, A., and Schoeller, W. (1999). Electronic structure of metallacyclophosphazene and metallacyclothiazene complexes. INORGANIC CHEMISTRY 38, 6261-6270.
Sundermann, A., & Schoeller, W., 1999. Electronic structure of metallacyclophosphazene and metallacyclothiazene complexes. INORGANIC CHEMISTRY, 38(26), p 6261-6270.
A. Sundermann and W. Schoeller, “Electronic structure of metallacyclophosphazene and metallacyclothiazene complexes”, INORGANIC CHEMISTRY, vol. 38, 1999, pp. 6261-6270.
Sundermann, A., Schoeller, W.: Electronic structure of metallacyclophosphazene and metallacyclothiazene complexes. INORGANIC CHEMISTRY. 38, 6261-6270 (1999).
Sundermann, A, and Schoeller, Wolfgang. “Electronic structure of metallacyclophosphazene and metallacyclothiazene complexes”. INORGANIC CHEMISTRY 38.26 (1999): 6261-6270.

Zitationen in Europe PMC

Daten bereitgestellt von Europe PubMed Central.

References

Daten bereitgestellt von Europe PubMed Central.

Export

Markieren/ Markierung löschen
Markierte Publikationen

Open Data PUB

Web of Science

Dieser Datensatz im Web of Science®
Quellen

PMID: 11671342
PubMed | Europe PMC

Suchen in

Google Scholar