Investigating Global Reactivity Profiles and Key Reactive Sites of Eight Tetracyanoquinodimethane Derivatives: A Computational Study Using B3LYP/6-311G(d,p) theory level
Mabintou Kalo, Fatogoma Diarrassouba, Demel Axel Adou, Kafoumba Bamba, Nahossé Ziao
Chemical Science International Journal · pp. 35–47 · Published 20 Apr 2024
10.9734/CSJI/2024/v33i3893Abstract
In this work, it was a question of carrying out a theoretical study of the global reactivity and a characterization of the preferential sites of reactivity of eight (08) derivatives of Tetracyanoquinodimethane (TCNQ). It emerges from this study that the oxidizing power of the eight (08) molecules increases with the electrophilic character and electro-acceptor power. In terms of local reactivity, in general, nucleophilicity concerns terminal nitrogen atoms. Electrophilicity concerns the central ring carbon atoms of analogous TCNQ.
Cited by 4
Linpo Yang, Jiaqi Yang, Jiadi Peng · Journal of Photochemistry and Photobiology A Chemistry · 2026
Heba A. El‐Shekheby, Naema S. Yehia, Ahmed Hashem Mangood · Scientific Reports · 2026
Showing 2 of 4 known citations — external sources report more than can currently be individually listed.
Related research
- Understanding the Reactivity of Trimethylsilyldiazoalkanes Participating in [3+2] Cycloaddition Reactions towards Diethylfumarate with a Molecular Electron Density Theory Perspective — shares topic coverage
- Participation of Phosphorylated Analogues of Nitroethene in Diels–Alder Reactions with Anthracene: A Molecular Electron Density Theory Study and Mechanistic Aspect — shares topic coverage
- Application of β-Phosphorylated Nitroethenes in [3+2] Cycloaddition Reactions Involving Benzonitrile N-Oxide in the Light of a DFT Computational Study — shares topic coverage
- Unveiling the Different Reactivity of Bent and Linear Three-Atom-Components Participating in [3 + 2] Cycloaddition Reactions — shares topic coverage
- Stabilized Arylzinc Iodides in Negishi Acylative Cross-Coupling: A Modular Synthesis of Chalcones — shares topic coverage
Article metrics
Real usage data collected on this platform.
51
Page views
0
PDF downloads
13
Outbound clicks
4
Citations
Views over time
Views by country
Approximate, from request IP at view time — not citizenship or institution. Countries with fewer than 5 views are grouped as "Other".
Traffic sources
Referring site, by host.
Views and downloads exclude known bots/crawlers. Citations combines this platform's own DOI-resolved index with each external source's own reported total — see Cited by above for individually listed citing works. Last refreshed 0 seconds ago.