Producción Científica Profesorado

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



Camacho Mendoza, Rosa Luz

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

Hypervalence at tin(IV) by transannular bonding of sulfur in an eight-membered ring: The case of dib...

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

Synthesis and crystal structure of the N-8-(diphenyl-hydroxy-2-aminomethylpyridine)borane

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

Pentacoordination at Germanium by Transannular Bonding of Sulfur or Oxygen in an Eight-Membered Ring...

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

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

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

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

Study of the D?Sb (D = O, S) Transannular Interaction in Sb-Monohalogenated Dibenzostibocines ? An E...