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Calculation of transition metal compounds using an extension of the CNDO formalism. II. Metal to metal bonding in binuclear transition metal compounds
Freund, Hans Joachim, Dick, Bernhard und Hohlneicher, Georg (1980) Calculation of transition metal compounds using an extension of the CNDO formalism. II. Metal to metal bonding in binuclear transition metal compounds. Theoretica Chimica Acta 57 (3), S. 181-207.Veröffentlichungsdatum dieses Volltextes: 05 Aug 2009 13:50
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DOI zum Zitieren dieses Dokuments: 10.5283/epub.5546
Zusammenfassung
A recently developed extension of the CNDO-method (Freund and Hohlneicher, 1979) is used to study the electronic structure of a no. of binuclear transition metal carbonyls and carboxylates with 4-fold or quasi-4-fold symmetry. The results are compared to those available from nonempirical calcns. Special attention is paid to the nature of the metal-metal bond. Connections with qual. ...
A recently developed extension of the CNDO-method (Freund and Hohlneicher, 1979) is used to study the electronic structure of a no. of binuclear transition metal carbonyls and carboxylates with 4-fold or quasi-4-fold symmetry. The results are compared to those available from nonempirical calcns. Special attention is paid to the nature of the metal-metal bond. Connections with qual. MO-considerations allow a fairly general discussion of metal-metal bonding in binuclear transition metal complexes with basic 4-fold symmetry. A few, up to now unknown, but possibly existing, complexes are considered.
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| Dokumentenart | Artikel | ||||||
| Titel eines Journals oder einer Zeitschrift | Theoretica Chimica Acta | ||||||
| Band: | 57 | ||||||
|---|---|---|---|---|---|---|---|
| Nummer des Zeitschriftenheftes oder des Kapitels: | 3 | ||||||
| Seitenbereich: | S. 181-207 | ||||||
| Datum | 1980 | ||||||
| Zusätzliche Informationen (Öffentlich) | CAN 94:8019 65-4 General Physical Chemistry 10170-69-1; 10210-68-1; 14404-41-2; 45264-01-5; 60428-77-5; 63448-51-1; 75952-29-3; 75952-30-6; 75952-31-7 Role: PRP (Properties) (MO calcns. on, bonding in relation to) | ||||||
| Institutionen | Chemie und Pharmazie > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Bernhard Dick | ||||||
| Identifikationsnummer |
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| Stichwörter / Keywords | Transition metal carbonyls, Role: PRP (Properties) (MO of, bonding in relation to); Energy level (of transition metal carboxylates and carbonylbinuclear complexes); Carboxylic acids, Role: PRP (Properties) (transition metal complexes, MO calcns. of), Molecular orbital (CNDO, of transition metal carbonyls and carboxylates), Bond (transition metal-transition metal, in binuclear complexes), transition metal binuclear complex CNDO carbonyl transition metal complex CNDO carboxylate transition metal complex CNDO bond transition metal complex | ||||||
| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 540 Chemie | ||||||
| Status | Veröffentlicht | ||||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||||
| An der Universität Regensburg entstanden | Nein | ||||||
| URN der UB Regensburg | urn:nbn:de:bvb:355-epub-55463 | ||||||
| Dokumenten-ID | 5546 |
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