Captodative Substitution Enhances the Diradical Character of Compounds, Reduces Aromaticity, and Controls Single-Molecule Conductivity Patterns: A Valence Bond Study
Author:
Affiliation:
1. Department of Organic Chemistry and the Lise Meitner-Minerva Centre for Computational Quantum Chemistry, The Hebrew University, Jerusalem 91904, Israel
2. Algemene Chemie, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussels, Belgium
Funder
Israel Science Foundation
Fonds Wetenschappelijk Onderzoek
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b06096
Reference74 articles.
1. Stabilization of Radicals by “Capto-Dative” Substitution CCAddition to Radicophilic Olefins
2. The captodative effect
3. Search for a Small Chromophore with Efficient Singlet Fission: Biradicaloid Heterocycles
4. Seeking Small Molecules for Singlet Fission: A Heteroatom Substitution Strategy
5. Giant Enhancement of the Second Hyperpolarizabilities of Open-Shell Singlet Polyaromatic Diphenalenyl Diradicaloids by an External Electric Field and Donor–Acceptor Substitution
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