Related Experiment Video
Updated: Jul 7, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
Molecular complexes of pentazolo[1,2-a]pentazole, N8
Ibon Alkorta1, Fernando Blanco, José Elguero
1Instituto de Química Médica (CSIC), Juan de la Cierva, 3, 28006-Madrid, Spain. ibon@iqm.csic.es
Abstract:
A theoretical study of the complexes formed by pentazolo[1,2-a]pentazole, N8, with neutral electron donors, hydrogen-bond donors, and anions has been carried out at the B3LYP and MP2 computational levels. In addition, the clusters formed by two, three, and four molecules of N8 have been studied. The results show that, in general, the interaction of the central N-N bond is preferred over the formation of a HB complex with neutral molecules. A comparison of the energetic results for the N8 complexes obtained in the present article with those for analogous complexes of C6F6 demonstrates that the N8 complexes exhibit a stronger interaction with both neutral and anionic systems. Small cooperative effects are observed in the calculated clusters of N8.
More Related Videos
07:20Amide Coupling Reaction for the Synthesis of Bispyridine-based Ligands and Their Complexation to Platinum as Dinuclear Anticancer Agents
Published on: May 28, 2014
04:51Synthesis of Triazole and Tetrazole-Functionalized Zr-Based Metal-Organic Frameworks Through Post-Synthetic Ligand Exchange
Published on: June 23, 2023
Related Concept Videos
Structure of Benzene: Molecular Orbital Model
Five-Membered Heterocyclic Aromatic Compounds: Overview
Aromatic Hydrocarbon Cations: Structural Overview
Removing one hydrogen from the intervening CH2 group with both...
Hybridization of Atomic Orbitals II
Aromatic Hydrocarbon Anions: Structural Overview
Due to the absence of continuous overlap of p...
π Molecular Orbitals of 1,3-Butadiene
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the number...