Počet záznamů: 1  

Experimental and computational studies of di-μ-chlorido-bis[chlorido(1,10-phenanthroline-K.sup.2./sup.N,N')nickel(II)] NiCl.sub.2./sub.(H.sub.2./sub.O)(C.sub.12./sub.N.sub.2./sub.H.sub.8./sub.): Crystal structure, quantitative analysis of the intermolecular interactions and electronic properties

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    0541692 - FZÚ 2022 RIV NL eng J - Článek v odborném periodiku
    El Bali, B. - Lachkar, M. - Direm, A. - Cetiner, E. - Sayin, K. - Dušek, Michal
    Experimental and computational studies of di-μ-chlorido-bis[chlorido(1,10-phenanthroline-K2N,N')nickel(II)] NiCl2(H2O)(C12N2H8): Crystal structure, quantitative analysis of the intermolecular interactions and electronic properties.
    Journal of Molecular Structure. Roč. 1227, Mar (2021), č. článku 129576. ISSN 0022-2860. E-ISSN 1872-8014
    Grant CEP: GA ČR(CZ) GA18-10438S; GA MŠMT(CZ) LO1603
    GRANT EU: European Commission(CZ) CZ.2.16/3.1.00/24510
    Institucionální podpora: RVO:68378271
    Klíčová slova: Ni(II) complex * crystal structure * Hirshfeld surface analysis * MEP map * quantum chemical calculations
    Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
    Impakt faktor: 3.841, rok: 2021
    Způsob publikování: Omezený přístup
    https://doi.org/10.1016/j.molstruc.2020.129576

    NiCl2(H2O)(C12N2H8) was synthesized in solution and its structure was studied by single-crystal X-ray diffraction. The crystal structure is described in terms of Ni2Cl4(H2O)2(Phen)2 dimmers interacting through weak intermolecular O–H...Cl Hydrogen bonds. The 2D fingerprint plots, built using the Hirshfeld surface analysis, helped analyzing and quantifying all the intermolecular contacts and revealed the main intermolecular interactions around the title complex.

    Trvalý link: http://hdl.handle.net/11104/0319223

     
     
Počet záznamů: 1  

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