Combined experimental and computational study reveals intermolecular interactions in metalloporphyrins, suggesting implications for molecular recognition and catalysis.
molecules, revealing Lewis acid role played by the V/Fe atom and Lewis base role carried out by the A─H bond. Furthermore, the supramolecular complexes studied were characterized using state-of-the-art chemistry tools, such as the quantum theory of atoms in molecules (QTAIM), noncovalent interactions plot (NCIplot), and natural bonding orbital (NBO) methodologies. We believe this study will provide a deeper understanding of weak hydrogen···metal interactions and will be of broad interest to chemists working in the areas of molecular recognition, catalysis, and solid-state chemistry.
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Das et al. (2026) studied this question.
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