Formation of Ag2, Au2 and AgAu particles on MgO(100): DFT study on the role of support-induced charge transfer in metal–metal interactions

2009 ◽  
Vol 255 (16) ◽  
pp. 7380-7384 ◽  
Author(s):  
Silvia A. Fuente ◽  
Patricia G. Belelli ◽  
María M. Branda ◽  
Ricardo M. Ferullo ◽  
Norberto J. Castellani
2018 ◽  
Vol 20 (14) ◽  
pp. 9084-9089 ◽  
Author(s):  
Marie-Christine Bacchus-Montabonel

The role of sulfur in proton-induced charge transfer is analyzed through an ab initio theoretical study of mercaptoacetonitrile HSCH2CN with related HCN oligomers.


2021 ◽  
Author(s):  
Aleksandra V. Paderina ◽  
Igor O Koshevoy ◽  
Elena V. Grachova

The copper subgroup metal ions in the oxidation state +1 are classical candidates for the aggregation via non-covalent metal–metal interactions, which are supported by a number of the bridging ligands....


2016 ◽  
Vol 113 (11) ◽  
pp. 2845-2850 ◽  
Author(s):  
Sammual Yu-Lut Leung ◽  
Keith Man-Chung Wong ◽  
Vivian Wing-Wah Yam

A series of mono- and dinuclear alkynylplatinum(II) terpyridine complexes containing the hydrophilic oligo(para-phenylene ethynylene) with two 3,6,9-trioxadec-1-yloxy chains was designed and synthesized. The mononuclear alkynylplatinum(II) terpyridine complex was found to display a very strong tendency toward the formation of supramolecular structures. Interestingly, additional end-capping with another platinum(II) terpyridine moiety of various steric bulk at the terminal alkyne would lead to the formation of nanotubes or helical ribbons. These desirable nanostructures were found to be governed by the steric bulk on the platinum(II) terpyridine moieties, which modulates the directional metal−metal interactions and controls the formation of nanotubes or helical ribbons. Detailed analysis of temperature-dependent UV-visible absorption spectra of the nanostructured tubular aggregates also provided insights into the assembly mechanism and showed the role of metal−metal interactions in the cooperative supramolecular polymerization of the amphiphilic platinum(II) complexes.


2019 ◽  
Vol 217 ◽  
pp. 547-560 ◽  
Author(s):  
Tae Hoon Choi ◽  
Kenneth D. Jordan

Orbitals associated with the non-valence correlation-bound anions of the C60 dimer and linear trimer from calculations allowing charge transfer.


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