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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
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SYSNO ASEP 0421356 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Multiple anion . . . π interactions in tris(1,10-phenanthroline-κ2N,N’)-iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate Author(s) Zouaoui, S. (DZ)
Domasevitch, K.V. (UA)
Setifi, F. (DZ)
Mach, P. (SK)
Ng, S. W. (MY)
Petříček, Václav (FZU-D) RID, ORCID, SAI
Dušek, Michal (FZU-D) RID, ORCID, SAISource Title Acta Crystallographica Section C-Crystal Structure Communications - ISSN 0108-2701
Roč. 69, č. 11 (2013), s. 1351-1356Number of pages 6 s. Language eng - English Country DK - Denmark Keywords structure analysis, ; anion-pi interaction ; DFT calculations Subject RIV BM - Solid Matter Physics ; Magnetism Institutional support FZU-D - RVO:68378271 UT WOS 000326651300031 DOI 10.1107/S0108270113027108 Annotation 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. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2014
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