Producción Científica Profesorado

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



González Montiel, Simplicio

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

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

Versatile behavior of 2-guanidinobenzimidazole nitrogen atoms toward protonation, coordination and m...

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

Hexacoordinated spirocyclic germanium(IV) complex: Synthesis and structural characterization

Five-membered ring chelate complexes of Ni(II), Pd(II) and Pt(II) derived of di-(2-pyridyl)-N-ethyli...

Synthesis and structural characterization of bis-chelate Pd(II) complexes derived from substituted d...

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

Benzazole-N(SINGLE BOND)BH3 adducts. Reductive transposition of 2-benzimidazole, 2-benzothiazole, an...

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

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