Počet záznamů: 1  

Multiple anion . . . π interactions in tris(1,10-phenanthroline-κ.sup.2./sup.N,N’)-iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate

  1. 1. 0421356 - FZU-D 2014 RIV DK eng J - Článek v odborném periodiku
    Zouaoui, S. - Domasevitch, K.V. - Setifi, F. - Mach, P. - Ng, S. W. - Petříček, Václav - Dušek, Michal
    Multiple anion . . . π interactions in tris(1,10-phenanthroline-κ2N,N’)-iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate.
    Acta Crystallographica. C - Crystal Structure Communications. Roč. 69, č. 11 (2013), s. 1351-1356 ISSN 0108-2701
    Institucionální podpora: RVO:68378271
    Klíčová slova: structure analysis, * anion-pi interaction * DFT calculations
    Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
    Impakt faktor: 0.535, rok: 2013

    In the ionic structure of the title compound the octahedral tris-chelate [Fe(phen)3]2+ dications afford one-dimensional chains by a series of slipped pi-pi stacking interactions [centroid-to-centroid distances = 3.792 (3) and 3.939 (3) Å]. The anions, denoted tcnoetOH- reveal an appreciable delocalization of pi-electron density. This is also supported by density functional theory (DFT) calculations. The double anion . . . π interaction involving a nitrile group of tcnoetOH- and two cis-positioned pyridine rings suggest the relevance of anion. . . π stackings for charge-diffuse polycyanoanions and common M-chelate species.
    Trvalý link: http://hdl.handle.net/11104/0227688