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Coordination of dihydrogen to transition metal complexes: ab initio investigation of Cr(CO)5(H2) and Cr(CO)4(H2)2

✍ Scribed by Gianfranco Pacchioni


Book ID
107811321
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
387 KB
Volume
377
Category
Article
ISSN
0022-328X

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πŸ“œ SIMILAR VOLUMES


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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