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Updated: Sep 24, 2025
From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff
Snehasish Thakur1, Michael G B Drew2, Antonio Franconetti3
1Department of Chemistry, Inorganic Section, Jadavpur University Kolkata 700 032 India shouvik.chem@gmail.com.
Abstract:
Two mononuclear and two dinuclear vanadium(v) complexes, [VO2L1] (1), [VO2L2] (2), (μ-O)2[V(O)(L3)]2 (3) and (μ-O)2[V(O)(L4)]2·2H2O (4), where HL1 = 4-bromo-6-[(2-phenylaminoethylimino)methyl]phenol, HL2 = 2-((2-(diethylamino)ethylimino)methyl)-4-chlorophenol, HL3 = 2-((2-(ethylamino)ethylimino)methyl)-4-chlorophenol and HL4 = 2-(1-(2-(ethylamino)ethylimino)ethyl)phenol have been synthesized and characterized. Structures of all complexes have been confirmed by single crystal X-ray diffraction studies. Complexes 1, 2, and 3 exhibit significant halogen bonding interactions in their solid state structures. The energies associated to the supramolecular interactions have been explored using Density Functional Theory (DFT) calculations, and further confirmed with non-covalent interaction (NCI) plots.
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