1. Insight into polymorphism in weakly polar systems using favorable connection motifs.
- Author
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Liu, Yumin, Gong, Junbo, Yan, Dongpeng, and Wang, Jingkang
- Subjects
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POLAR molecules , *INTERATOMIC distances , *GEOMETRIC approach , *INTERMOLECULAR interactions , *DIBENZOYLMETHANE - Abstract
We explore the polymorphism of a weakly polar molecule, dibenzoylmethane, in which the intramolecular hydrogen-bonded enol "chelated" form is favoured. A simple geometric method on the basis of interatomic distance to visualize and count favourable connections between non-hydrogen atoms was constructed to judge the strength of intermolecular interactions in polymorphs of this kind of weakly polar molecule. The number of total favourable connections mirrored with resonance-assisted hydrogen bonds (RAHB) and aromatic interactions in DBM polymorphs increases from forms I to III, in agreement with the order of their equivalent interaction energies, proving that it is feasible for this geometric approach to be used in this weakly polar system. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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