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A double-bonded niobium(III) compound with a formamidinate core: Nb2(μ-SMe)2(μ-DTolF)2 (η2-DTolF)2.2 toluene, DToIF= di-p-tolylformamidinate (1996)

Cotton, F. Albert ; Matonie, John H. ; Murillo, Carlos A.

Springer

Journal of cluster science 7 (1996), S. 655-662

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ISSN: 1572-8862

Schlagwort(e): Niobium(III) ; edge-sharing bioctahedra ; di-p-tolylformamidinato ; thiomethoxide ; double-bond ; crystal structure

Quelle: Springer Online Journal Archives 1860-2000

Thema: Maschinenbau , Physik

Notizen: Abstract The reaction of NaEt3BH with Nb2(μ-SMe2)3Cl6 results in the transfer of a hydride ion to dimethylthioether with concomitant production of methane. Further reaction with potassium di-p-tolylformamidinate, KDTolF, yields Nb2(μ-SMe)2(μ-DTolF)2η2-DTolF:)2.2 toluene, 1. In the latter, two thiomethoxide ions and two DTolF groups bridge the trivalent niobium atoms. Each of the other two DTolF groups chelate a metal atom to give the molecule an edge-sharing bioctahedral structure, The niobium-niobium distance of 2.655(2) A is consistent with the presence of a double bond between the metal atoms.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1007/BF01165807

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Digitale Medien

Electronic structure and metal-metal interaction in edge- and face-sharing bioctahedral compounds of molybdenumDedicated to Professor Jens Peder Dahl on the occasion of his 60th birthday. (1996)

Cotton, F. Albert ; Feng, Xuejun

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 58 (1996), S. 671-680

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ISSN: 0020-7608

Schlagwort(e): Chemistry ; Theoretical, Physical and Computational Chemistry

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie

Notizen: Ab initio configuration interaction calculations have been performed for the title compounds to study the nature of the metal-metal interaction. By analyzing the energy diagrams and the CI wave functions, it can be shown that the metal-metal interaction in such compounds has a dual nature, namely, formation of some direct metal-metal bonds and antiferromagnetic coupling of remaining electron pairs. Experimental observations of the magnetic behavior of the compounds can be explained satisfactorily by the calculated energy diagrams which include low-lying magnetic excited states as the result of the weak exchange coupling. © 1996 John Wiley & Sons, Inc.

Zusätzliches Material: 4 Ill.

Materialart: Digitale Medien

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