Nonlinear d10-ML2 Transition-Metal Complexes
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چکیده
Invited for this month's cover is the group of Prof. F. Matthias Bickelhaupt. The cover picture illustrates the authors' quantum chemical finding that π electrons can significantly bend otherwise linear d(10)-ML2 complexes through backbonding. For more details, see the Full Paper on p. 106 ff.
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Nonlinear d10-ML2 Transition-Metal Complexes
We have investigated the molecular geometries of a series of dicoordinated d(10)-transition-metal complexes ML2 (M=Co(-), Rh(-), Ir(-), Ni, Pd, Pt, Cu(+), Ag(+), Au(+); L=NH3, PH3, CO) using relativistic density functional theory (DFT) at ZORA-BLYP/TZ2P. Not all complexes have the expected linear ligand-metal-ligand (L-M-L) angle: this angle varies from 180° to 128.6° as a function of the metal...
متن کاملCover Picture: Nonlinear d10-ML2 Transition-Metal Complexes (ChemistryOpen 3/2013)
COVER PICTURE Lando P. Wolters and F. Matthias Bickelhaupt* The cover picture illustrates the authors' quantum chemical finding that π electrons can significantly bend otherwise linear d(10)-ML2 complexes through backbonding. The foreground features a typical series of linear and nonlinear computed equilibrium geometries, while, in the background, one discerns quantitative numerical output of t...
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