Electronic structure and ionization energies of palladium and platinum N-heterocyclic carbene complexes.

Density functional methods have been used to calculate the geometries, electronic structure and ionization energies (IE) of N-heterocyclic carbene complexes of palladium and platinum, [M(CN2R2C2H2)2](M = Pd, Pt; R = H, Me, Bu t). Agreement with X-ray structures (R = Bu t) was good. Calculated IE agr...

Cur síos iomlán

Sonraí bibleagrafaíochta
Príomhchruthaitheoirí: Green, J, Herbert, B
Formáid: Journal article
Teanga:English
Foilsithe / Cruthaithe: 2005