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Issue 9, 2019
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Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes

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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.

Graphical abstract: Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes

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Publication details

The article was received on 03 Dec 2018, accepted on 21 Jan 2019 and first published on 06 Feb 2019


Article type: Paper
DOI: 10.1039/C8RA09947B
RSC Adv., 2019,9, 4789-4796
  • Open access: Creative Commons BY-NC license
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    Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes

    S. Thakur, M. G. B. Drew, A. Franconetti, A. Frontera and S. Chattopadhyay, RSC Adv., 2019, 9, 4789
    DOI: 10.1039/C8RA09947B

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