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

Complexation of the uranyl ion (UO2)2+ with a tetraphenylimidodiphosphinate ligand: the first trinuc...

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

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

Synthesis and Crystal Structure of [Te{S(C6H3S)2O}]: A Tetracyclic Tellurium(II) Compound Displaying...

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

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

Six-membered ring chelate complexes of Pd(II) and Pt(II) derived from di-(2-pyridyl)pyrimidin-2-ylsu...

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

Synthesis and Spectroelectrochemical Studies of Mixed Heteroleptic Chelate Complexes of Ruthenium(II...

Structural Studies by NMR and X-Ray Crystallography of N-(p-Toluenesulfonyl)-Amino Acids