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Binding energies and bonding nature of MX(CO)(PH3)2(C60) (M = Rh or Ir; X = H or Cl): Theoretical study

✍ Scribed by Atsushi Ikeda; Yuu Kameno; Yoshihide Nakao; Hirofumi Sato; Shigeyoshi Sakaki


Book ID
111713302
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
334 KB
Volume
692
Category
Article
ISSN
0022-328X

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Geometry, electronic structure and bonding energy analysis of the terminal neutral dihalobismuth complexes of nickel, palladium and platinum trans-[X(PMe 3 ) 2 M(BiX 2 )] (M = Ni, Pd, Pt; X = Cl, Br, I) were investigated at the BP86/TZ2P/ZORA level of theory. The calculated geometrical parameters of