The molecular and electronic structures of [M(η2(C,C‘)-C3O2)(PPh3)2] (M = Ni, Pd, Pt) have been investigated by means of quasi-relativistic gradient-corrected density functional calculations and solid-state CP/MAS NMR spectroscopy. Theoretical outcomes are consistent with a square-planar coordination around the central metal atom and are in very good agreement with the bonding scheme emerging from IR and NMR data.
Further Insights into the Structure of [M(η2(C,C‘)-C3O2)(PPh3)2] (M = Ni, Pd, Pt) by Quasi-Relativistic Density Functional Calculations and Solid-State CP/MAS NMR
CASARIN, MAURIZIO;PANDOLFO, LUCIANO;
2002
Abstract
The molecular and electronic structures of [M(η2(C,C‘)-C3O2)(PPh3)2] (M = Ni, Pd, Pt) have been investigated by means of quasi-relativistic gradient-corrected density functional calculations and solid-state CP/MAS NMR spectroscopy. Theoretical outcomes are consistent with a square-planar coordination around the central metal atom and are in very good agreement with the bonding scheme emerging from IR and NMR data.File in questo prodotto:
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