Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1209, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2020.127945
Keywords
Supramolecular synthons; Charge density; Hydrogen bonds; Topological analysis
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Funding
- [311]
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The nature of bifurcated hydrogen bonds prompted us to analyze the energy of supramolecular motifs on the example of new structures of carboxylic acids salts with amines, which guarantee a multitude of such interactions. Experimental and theoretical studies of four dicarboxylic salts with primary amine: ethylammonium succinate hydrate (1), tartrate hydrate (2) phthalate hydrate (3) and terephthalate (4) has been investigated along with study of the strength of interactions between the anions and cations. The complete topological analysis of the charge density for all new structures allowed designation of the estimated Cumulative Dissociation Energy (eCDE). (C) 2020 Elsevier B.V. All rights reserved.
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