ArticleChemistry (Weinheim an der Bergstrasse, Germany)2026
Bond and Antibond Resonances: A Unified Framework for Singlet Biradical Character.
Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed.
- Spiro-Induced Strain as a Design Principle for Long-Lived Singlet Diradicals with π-Single Bond Character.The Journal of organic chemistry · 2026Article
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2 authors.
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Abstract
While the mathematical description of the electronic structure of biradical(oid)s is nowadays well understood, we feel that the chemical-conceptual understanding of the structure and bonding, especially of singlet biradicaloids, remains underdeveloped. In particular, the degree of "biradical character" of singlet biradicaloids is discussed in the literature using a heterogeneous selection of indices, which are often not directly comparable and therefore hamper the development of a systematic understanding as well as comparison of different biradicaloid species. This paper aims to ameliorate this situation, by taking a holistic approach considering a wide variety of biradical indicators (including e.g. the LUNO occupancy, singlet-triplet (ST) gap, bond order (BO) between the radical centers) and applying established computational methods (DFT, CCSD(T), CASSCF, NEVPT2, MRCI) to attain a unified description across the whole range of biradical character, from closed-shell molecules to "perfect" (open-shell) biradicals. We mainly focus on model systems of inorganic, four-membered ring systems which are formally isolobal to S
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