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[6]Helicene as a novel molecular tweezer for the univalent silver cation: Experimental and theoretical study
- 1.0446734 - ÚOCHB 2016 NL eng J - Journal Article
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. E-ISSN 1872-8014
R&D Projects: GA ČR GP13-21409P; GA ČR GAP207/10/1124; GA TA ČR TA01010646; GA MPO FR-TI3/628
Institutional support: RVO:61388963 ; RVO:67985858
Keywords : univalent silver cation * [6]helicene * cation-pi interaction * structures
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.780, year: 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.
Permanent Link: http://hdl.handle.net/11104/0248708
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