Binuclear dioxomolybdenum(VI) complexes of some tridentate ONS donor ligand containing [MoO2]2+ as the acceptor center: Synthesis, crystal structure, supramolecular architectures via hydrogen bonds, π-π stacking and DFT calculations. (8th January 2015)

• Record Type: Journal Article
• Authors: Pramanik, Nikhil Ranjan; Chakraborty, Manashi; Biswal, Debanjana; Mandal, Sudhanshu Sekhar; Ghosh, Saktiprosad; Chakrabarti, Syamal; Sheldrick, William S.; Drew, Michael G.B.; Mondal, Tapan Kumar; Sarkar, Deblina
• Is Part Of: Polyhedron. Volume 85(2015)
• Page Start: 196
• Page End: 207
• Publication Date: 2015-01-08
• Subjects: Dioxomolybdenum(VI) complexes -- Supramolecular -- Hydrogen bond -- π-π stacking -- DFT calculations; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2014.08.010
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: Linear diimine and diamine-bridged binuclear dioxomolybdenum(VI) complexes [(MoO2 L)2 (B-B)] [where, B-B is a bridging spacer like 4, 4′ bipyridine, 1, 2 bis (4-pyridyl) ethene, 1, 2 bis (4-pyridyl) ethane] with ONS donor ligands have been synthesized. Crystal structures, DFT calculation and supramolecular architectures via hydrogen bonding and π - π stacking interactions are discussed. Abstract: A series of linear diimine and diamine-bridged binuclear dioxomolybdenum(VI) complexes having general formula [(MoO2 L)2 (B-B)] [where, B-B is a bridging linear N, N′-bidentate spacer 4, 4′ bipyridine, 1, 2 bis (4-pyridyl) ethene and 1, 2 bis (4-pyridyl) ethane] with the tridentate binegative Schiff base ligands obtained by the condensation of salicylaldehyde/2-hydroxyacetophenone with S-benzyl/S-methyl dithiocarbazate have been synthesized. Elemental analysis, various spectroscopic (IR, UV–Vis, 1 H NMR) measurements and electrochemical studies have been used for characterization of these complexes. The complexes2, 2a, 9 and10 were structurally characterized by single crystal X-ray crystallography which reveal that in these complexes the overall coordination geometry around the Mo(VI) center can be described as distorted octahedral. Complexes2, 2a, 9 and10 give rise to interesting supramolecular architectures via hydrogen bonding and π - π stacking interactions. In addition, extensive hydrogen bonding interactions in complex10 lead to the formation of cavities. DFT calculations on the ligand and complexes2, 2a, 9 and10 were also carried out.