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...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2005
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