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Issue 10, 2012
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Synthesis, X-ray crystal structures, optical properties and modelling data of neutral bis(1,2-dithiolene) nickel complexes of the “non-cyclic SR” family

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Abstract

Three nickel-bisdithiolene-based compounds were synthesized and characterized by X-ray single crystal (for two of them), electrochemical and spectroscopic analyses. A minor change in the alkyl chain structure surrounding the nickel-bisdithiolene core induces dramatic changes in molecular packing: complex 1 crystallizes in a triclinic (P[1 with combining macron]) space group while complex 3 crystallizes in a monoclinic (C2/c) space group. No such differences are to be noted concerning electrochemical or spectroscopic characteristics, the alkyl chains induce no influence on electronic parameters. Furthermore, theoretical calculations were conducted to obtain theoretical insight of the behaviour of the complexes. The three complexes were investigated by DFT calculations using the PBE0 functional.

Graphical abstract: Synthesis, X-ray crystal structures, optical properties and modelling data of neutral bis(1,2-dithiolene) nickel complexes of the “non-cyclic SR” family

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Publication details

The article was received on 16 May 2012, accepted on 13 Jul 2012 and first published on 13 Jul 2012


Article type: Paper
DOI: 10.1039/C2NJ40398F
Citation: New J. Chem., 2012,36, 2033-2041
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    Synthesis, X-ray crystal structures, optical properties and modelling data of neutral bis(1,2-dithiolene) nickel complexes of the “non-cyclic SR” family

    T. Bui, M. H. Vuong, B. G. Bonneval, F. Alary, J. Kane, C. Duhayon, A. Sournia-Saquet and K. I. Moineau-Chane-Ching, New J. Chem., 2012, 36, 2033
    DOI: 10.1039/C2NJ40398F

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