Producción Científica Profesorado

Nonconventional C?HCu Interaction Between Copper Cun Clusters (n?=?3?20) and Aromatic Compounds



Cruz Borbolla, Julian

2020

Uriel J. Rangel-Peña, Rosa L. Camacho-Mendoza, Simplicio González?Montiel, Leticia Feria, Julián Cruz-Borbolla Nonconventional C?HCu Interaction Between Copper Cun Clusters (n?=?3?20) and Aromatic Compounds. J Clust Sci (2020). https://doi.org/10.1007/s10876-020-01873-w


Abstract


The present study examines bonding patterns between copper Cun clusters (n?=?3?20) and aromatic compounds (benzene, phenol, and benzaldehyde) using a density-functional theory (DFT) approach. Hirshfeld population, natural bond orbital (NBO), molecular orbitals, and quantum theory of atoms in molecules (QTAIM) analyses suggested the formation of two types of interactions Cu?arene and C?HCu, in the complexation of copper clusters by an aromatic compound.



Producto de Investigación




Artículos relacionados

Mild Oxidation of C?C Bonds of Benzoiridacycles

Structural differences in eight- and ten-membered heterocyclic tin compounds displaying transannular...

Hypervalence in germanium compounds containing the tetracylic moiety {S(C6H3S)2O}Ge via OGe transann...

Pentacoordination at antimony in dibenzostibocines via DSb transannular interactions (D = O, S): A s...

Ni(II) and Pd(II) organometallic and coordination complexes with a new tridentate N,N,O-donor ligand...

Synthesis and crystal structures of cis-palladium(II) and cis-platinum(II) complexes containing dipy...

Synthesis, Characterisation and Properties of As-Monohalogenated Dibenzoarsocines S(C6H4S)2AsHal (Ha...

Synthesis, characterization and crystal structures of dipyridyl-N-methylimine and cloro-bis (N,N?-2,...

Synthesis, characterization, and crystal structures of n-alkyldiorganodithiophosphates RS2P(OC6H4)2

cis-Palladium(II) complexes of derivatives of di-(2-pyridyl)methane: Study of the influence of the b...