ArticleJACS Au2026
Nitrogen in Supramolecular Chemistry: Understanding the Pervasive Role as Acceptor of Halogen, Chalcogen, Pnictogen and Tetrel Bonds.
Article in JACS Au, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Nitrogen-centered Lewis bases are well established as nucleophiles in synthetic chemistry, as ligands in coordination chemistry and as pervasive components of hydrogen bonding in chemistry and structural biology. Their role as acceptors of halogen, chalcogen, pnictogen and tetrel bonds, collectively σ-hole interactions, is also well established experimentally, but only selectively investigated through exploration of geometric and energetic trends. Here we report a comprehensive study, in which we identify the prevalence of this class of interactions and analyze experimental geometric trends from crystallographic data. These analyses are supported by high-accuracy coupled-cluster quantum chemical calculations of interaction energies and use of symmetry-adapted perturbation theory (SAPT) to examine the underlying energetic contributions. Our focus is on comparison, across the four families of σ-hole interactions, of the behavior for N
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