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Coinage Metal Superatomic Cores: Insights into Their Intrinsic Stability and Optical Properties from Relativistic DFT Calculations
(2017)
Coinage-metal atomically precise nanoclusters are made of a well-defined metallic core embedded in a ligand-protecting outer shell. Whereas gold derivatives are particularly well documented, examples of silver nanoclusters ...
Coinage metal superatomic cores: insights into their intrinsic stability and optical properties from relativistic dft calculations
(2017)
Coinage-metal atomically precise nanoclusters are made of a well-defined metallic core embedded in a ligand-protecting outer shell. Whereas gold derivatives are particularly well documented, examples of silver nanoclusters ...
Theoretical study of the interaction d10-d8 between Pt(0) and M(I) on the [Pt(PH3)3-MPH3] + complexes (M = Cu, Ag, Au)
(2007)
Ab initio calculations suggest that a series of complexes of type [Pt(PH3)3-MPH3]+ (M = Au, Ag, Cu) are stable. We found that changes around the equilibrium distance Pt-M and in the interaction energies are sensitive to ...
Insights into metal ligand and metal metal interaction in coinage metal triangles. Insights of d10-d10, d10-d8 and d8-d8 contacts from [au3in(ch3n coch3)3] (n = 2, 4, 6) via relativistic dft calculations
(2016)
The successive addition of one, two and three equivalents of iodide to [Au-3(CH3N=COCH3)(3)], gives rise to the [Au3In(CH3N=COCH3)(3)] (n = 2, 4, 6) oxidized systems. Such structures have been studied by using scalar ...
Nature of the dative Nitrogen-Coinage metal bond in molecular Motors. Evaluation of NHC-M pyrazine bond (M = Cu, Ag, Au) from relativistic DFT
(Elsevier B.V., 2023-05-01)
The use of different N-heterocyclic carbene (NHC) coordinated to coinage metals are useful caps for generating mechanical bonds towards donor-nitrogen fragments, leading to the characterization of efficient molecular motors. ...