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Molecular pseudopotential calculations on transition-metal complexes: Ni(CO)4, Pd(CO)4, and Pt(CO)4

✍ Scribed by Roman Osman; Carl S. Ewig; John R. van Wazer

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
394 KB
Volume
39
Category
Article
ISSN
0009-2614

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Why are the Homoleptic Diyl Complexes M(
Why are the Homoleptic Diyl Complexes M(InR)4 with M = Ni and Pt Stable Compounds while only Ni(CO)4 but not Pt(CO)4 can become Isolated? A Theoretical Study of M(EMe)44 and M(CO)4 (M = Ni, Pd, Pt; E = B, Al, Ga, In, Tl)
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The equilibrium geometries and first bond dissociation energies of the homoleptic complexes M(EMe) 4 and M(CO) 4 with M Ο­ Ni, Pd, Pt and E Ο­ B, Al, Ga, In, Tl have been calculated at the gradient corrected DFT level using the BP86 functionals. The electronic structure of the metal-ligand bonds has b