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[6]Helicene as a novel molecular tweezer for the univalent silver cation: Experimental and theoretical study

  1. 1.
    0446734 - UOCHB-X 2016 NL eng J - Článek v odborném periodiku
    Klepetářová, B. - Makrlík, E. - Jaklová Dytrtová, Jana - Böhm, S. - Vaňura, P. - Storch, Jan
    [6]Helicene as a novel molecular tweezer for the univalent silver cation: Experimental and theoretical study.
    Journal of Molecular Structure. Roč. 1097, Oct 5 (2015), s. 124-128. ISSN 0022-2860
    Grant CEP: GA ČR GP13-21409P; GA ČR GAP207/10/1124; GA TA ČR TA01010646; GA MPO FR-TI3/628
    Institucionální podpora: RVO:61388963 ; RVO:67985858
    Klíčová slova: univalent silver cation * [6]helicene * cation-pi interaction * structures
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 1.780, rok: 2015

    By employing electrospray ionization mass spectrometry (ES1-MS), it was proven experimentally that the [6]helicene-Ag+ complex (i.e.. (Ag(C26H16)](+)) exists in the gas phase. Further, applying quantum mechanical OFT calculations, the most probable structure of this cationic complex [Ag(C26H16)](+) was derived. Finally, in the solid state, the complex [6]helicene-silver perchlorate-monohydrate (i.e., C26H16-AgClO4-H2O), crystallizing in the monoclinic system with the centro-symmetric P2(1/)c space group, was prepared and analyzed by X-ray crystallography.
    Trvalý link: http://hdl.handle.net/11104/0248708