Bonding in the MO2 transition-metal diatomic molecule
β Scribed by Miguel Castro; Jaime Keller; Pilar Mareca
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 249 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0020-7608
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π SIMILAR VOLUMES
## Abstract The QRβSCMEHβMO computational method has been developed and tested on a numerous variety of inorganic systems over some 45βplus years, with surprisingly good success. More recently this method has been applied to the transition metal molecules, Cr~2,~ Mo~2~, W~2~, and Sg~2~ with 12 vale
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 MoZCle-and Mo2(02CH)4, respectively, are obtained by combining the known experimental bond energy in M o ~ (96.5 f 5 kcal/mole) with the results of
A polyhedral hybrid approach, based on generalized valence bond theory, is proposed to treat the electronic structure and bonding in transition metal molecules. A key feature of the approach is the ubiquity of "bent bonds" formed from overlapping hybrid orbitals.