ALBERT — All Library Books, journals and Electronic Records Telegrafenberg

Hits per page

hit 1 - 1 | 1 hit

Select All Export

Electronic Resource

Metal-metal bond energies in Mo2, Mo2Cl84-, and Mo2(O2CH)4 (1980)

Norman, Joe G. ; Ryan, P. Barry

New York, NY [u.a.] : Wiley-Blackwell

Journal of Computational Chemistry 1 (1980), S. 59-63

add to mindlist on the mindlist

Details

ISSN: 0192-8651

Keywords: Computational Chemistry and Molecular Modeling ; Biochemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology , Computer Science

Notes: Previous attempts to determine the strengths of multiple metal-metal bonds are reviewed. Estimates of 73 and 97 kcal/mole for the Mo—Mo bond energies in Mo2Cl84- and Mo2(O2CH)4, respectively, are obtained by combining the known experimental bond energy in Mo2 (96.5 ± 5 kcal/mole) with the results of SCF-Xα-SW calculations on Mo2, Mo2Cl84-, and Mo2(O2CH)4. Possible errors in the estimates are discussed. It is noted that the quadruple bonds in the complexes are predicted stronger per component than the sextuple bond in the diatomic.

Additional Material: 1 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/jcc.540010107

	Location	Call Number	Expected	Availability

Others were also interested in ...

Paper (German National Licenses)

Fulltext

hit 1 - 1 | 1 hit