Supramolecular assembly and ab initio quantum chemical calculations of 2-hydroxyethylammonium salts of para-substituted benzoic acids

…, P Bourosh, Y Chumakov, M Petric, G Ilia

Index: Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe Crystal Growth and Design, 2013 , vol. 13, # 1 p. 143 - 154

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Citation Number: 3

Abstract

Crystal structures of seven monoethanolamine benzoate salts have been studied to analyze the supramolecular architecture. The influence of dipole− dipole interactions between the anions and cations on molecular aggregates formation and macroscopic polarizations of unit cells have been studied due to ab initio quantum chemical calculations.