6533b828fe1ef96bd128866e

RESEARCH PRODUCT

Energetic study of bifurcated hydrogen bonds in secondary structures of salts composed with dicarboxylic acids and ethylamine

Bartosz ZarychtaKrzysztof EjsmontBłażej DziukBłażej Dziuk

subject

010405 organic chemistryHydrogen bondOrganic ChemistrySupramolecular chemistryCharge densityTartrate010402 general chemistry01 natural sciencesBond-dissociation energy0104 chemical sciencesAnalytical ChemistryHydrogen bondsInorganic Chemistrychemistry.chemical_compoundchemistryPolymer chemistryAmine gas treatingEthylamineSupramolecular synthonsCharge densityHydrateTopological analysisSpectroscopy

description

Abstract 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).

yearjournalcountryeditionlanguage
2020-06-01Journal of Molecular Structure
10.1016/j.molstruc.2020.127945https://www.sciencedirect.com/science/article/pii/S0022286020302702