A parallel study by different conventional and hybrid density functional methods has been performed for the whole series of binary cationic hydrides of first row transition metals. The results show that hybrid methods represent a significant improvement over standard density functionals, reaching an
Validation of self-consistent hybrid approaches for the study of transition metal complexes. NiCO and CuCO as case studies
โ Scribed by Vincenzo Barone
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 357 KB
- Volume
- 233
- Category
- Article
- ISSN
- 0009-2614
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๐ SIMILAR VOLUMES
Complexes have been prepared by the reactions of 2,2'-biquinoline with the chlorides of cobalt, nickel and copper in ethanolic solution. The complexes have stoichiometry MLCI, where M = Co'+, Nil+, Cu\*+ and L is 2,2'-biquinoline. The cobalt and copper complexes have tetrahedral structures while the
The chloro complexes of 2-(p.tolyl)pyridine and 4-aminoquinaldine with cobalt (II), nickel (II) and copper (II) have been prepared. The 4-aminoquinaldine complexes have polymeric octahedral structures. The cobalt and copper complexes of 2-(p.tolyl)pyridine have tetrahedral and tetragonal structures
The chloro complexes of cobalt, nickel and copper with 2-phenyl-4-quinoline carboxylic acid have stoichiometry MLCI 2 . The complexes which are polymeric have a stereochemistry in which the metal ion is in a six coordinate environment. The decompositions of the complexes have been studied by thermog