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.
Artículos relacionados
Synthesis, characterization, and crystal structures of n-alkyldiorganodithiophosphates RS2P(OC6H4)2
Study on the intramolecular transannular chalcogentin interactions in dithiastannecine compounds.
Structural Studies by NMR and X-Ray Crystallography of N-(p-Toluenesulfonyl)-Amino Acids