Related Experiment Video
Updated: Feb 7, 2026

Author Spotlight: Optimizing Cryo-EM Analysis with CryoSieve for Enhanced Particle Selection Efficiency
Published on: May 10, 2024
Substituent effect of the stacking interaction between carbon monoxide and benzene
1Department of Chemical Engineering, Zibo Vocational Institute, Zibo, 255314, Shandong Province, People's Republic of China. qzhaochem@126.com.
Abstract:
Noncovalent interactions (NCIs) between carbon monoxide and substituted benzene were investigated at the M06-2X/6-311++G(d,p) level. rThe results of interaction energy analysis indicated different effects for the electron-donating (-NH2, -OH, -CH3) and electron-withdrawing (-F, -CN, -NO2) groups on the CO⋯PhX complex. Atoms in molecules analysis confirmed the NCIs between CO and PhX. NCI analysis revealed that these interactions belong to van der Waals interactions. The electron density shift of the complexes was investigated with electron density difference analysis. Ternary CO⋯PhX⋯Bz complexes were designed to study the interplay between CO⋯π and π⋯π stacking interactions.
More Related Videos
05:34Efficient Synthesis of Polyfunctionalized Benzenes in Water via Persulfate-promoted Benzannulation of α,β-Unsaturated Compounds and Alkynes
Published on: December 16, 2019
08:12Characterization, Quantification and Compound-specific Isotopic Analysis of Pyrogenic Carbon Using Benzene Polycarboxylic Acids BPCA
Published on: May 16, 2016
Related Concept Videos
Directing Effect of Substituents: meta-Directing Groups
The Carbon Cycle
Carbon Skeletons
Radical Substitution: Halogenation of Alkanes and Alkyl Substituents
In the initiation step of the reaction, the chlorine molecule undergoes homolytic cleavage in the presence of light or heat, forming two highly reactive chlorine radicals. Propagation occurs in two...
Nomenclature of Aromatic Compounds with a Single Substituent
Directing Effect of Substituents: ortho–para-Directing Groups