Quantum mechanical ab initio calculations at the MP2 and CCSD(T) level of theory have been used to investigate the geometries and bond energies of the complexes M(CO) 6Β±x (H 2 ) x (M = Cr, Mo, W; x = 1, 2, 3). The theoretically predicted M(CO) 5 Β±(H 2 ) bond dissociation energies are in excellent ag
Structure and Bonding of Transition Metal Dihydrogen Complexes [M(CO)5(H2)] (M = Cr, Mo, W)
β Scribed by Dipl.-Chem. Stefan Dapprich; Prof. Dr. Gernot Frenking
- Publisher
- John Wiley and Sons
- Year
- 1995
- Tongue
- English
- Weight
- 493 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0044-8249
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π SIMILAR VOLUMES
Ab initio MO and DFT calculations have been performed on and triplet states, all complexes exhibit a staggered conformation. CASSCF/CASPT2 calculations performed with phosphinidene complexes of the type Cr(CO) 5 -PR, with R = H, CH 3 , SiH 3 , NH 2 , PH 2 , OH, and SH. The formation of the the ANO b
Germylene / Stannylene / Plumbylene / Schiff base / Transition metal complexes of M 14 divalent species The syntheses, characterization, and reactivities of the new stable mono-and cis-disubstituted Group 14 metal(II) chromium and tungsten carbonyl complexes (salen)M=MΠ(CO) 5 [salen = 2,2Π-N,NΠ-bis