Direkt zum Inhalt

Freund, Hans Joachim ; Dick, Bernhard ; Hohlneicher, Georg

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 and 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), pp. 181-207.

Date of publication of this fulltext: 05 Aug 2009 13:50
Article
DOI to cite this document: 10.5283/epub.5546


Abstract

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.



Involved Institutions


Details

Item typeArticle
Journal or Publication TitleTheoretica Chimica Acta
Volume:57
Number of Issue or Book Chapter:3
Page Range:pp. 181-207
Date1980
Additional Information (public)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)
InstitutionsChemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Bernhard Dick
Identification Number
ValueType
1981:8019Other
10.1007/BF00554101DOI
KeywordsTransition 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 Decimal Classification500 Science > 540 Chemistry & allied sciences
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgNo
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-55463
Item ID5546

Export bibliographical data

Owner only: item control page

nach oben