Synthesis, experimental and theoretical investigation of a new type nickel dithiolene complex (Journal article)

Soras, G./ Psaroudakis, N./ Manos, M. J./ Tasiopoulos, A. J./ Liakos, D. G./ Mousdis, G. A.

A new nickel complex with an extended multisulfur dithiolene ligand, [Ni(dmeodddt)(2)] (dmeodddt = 5,6-dimethoxy-5,6-dihydro-1,4-dithiine-2,3-dithiolate), has been synthesized and characterized by IR, Raman, UV-Vis and NMR spectroscopy. Its crystal structure has been determined by X-ray crystallography, showing that the Ni atom is tetra-coordinated and has a square planar geometry with the methoxy groups placed above and below the metal dithiolene core, due to stereochemical hindrance. Electrochemical measurements showed that the complex exhibits four 1e(-) reversible redox waves. The results of theoretical calculations showed a good agreement with the experimental findings and gave answers about its electronic structure. (c) 2013 Elsevier Ltd. All rights reserved.
Institution and School/Department of submitter: Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας
Keywords: dithiolene complexes,uv-vis-nir spectra,ir and raman spectra,dft calculations,crystal structure,cyclic voltammetry,transition-metal dimers,gaussian-basis sets,electronic-properties,valence,energy,atoms,approximation,polarization,absorption,solvents
ISSN: 0277-5387
Link: <Go to ISI>://000324226200025
Publisher: Elsevier
Appears in Collections:Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά)

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