0466148 - ÚOCHB 2017 RIV GB eng J - Journal Article
Klepetářová, Blanka - Makrlík, E. - Sýkora, D. - Böhm, S. - Vaňura, P.
Cation-pi interaction of the univalent silver cation with racemic [6]helicene in the gas phase and in the solid state.
Polyhedron. Roč. 117, Oct 15 (2016), s. 1-6. ISSN 0277-5387. E-ISSN 1873-3719
Institutional support: RVO:61388963
Keywords : univalent silver cation * [6]helicene * cation-pi interaction * DFT calculations * X-ray crystallography
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.926, year: 2016 ; AIS: 0.291, rok: 2016
DOI: https://doi.org/10.1016/j.poly.2016.05.016

Employing electrospray ionization mass spectrometry (ESI-MS), it was proven experimentally that the [6]helicene - Ag+ complex (i.e., [Ag(C26H16)](+)) exists in the gas phase. Further, applying quantum mechanical DFT calculations, the most probable structure of this cationic complex [Ag(C26H16)](+) was derived. Finally, in the solid state, the complex [6]helicene - silver hexafluoroantimonate - monohydrate (i.e., C26H16 - AgSbF6 - H2O), crystallizing in the monoclinic system with the centrosymmetric space group P2(1)/c, was prepared and analyzed by X-ray crystallography.
Permanent Link: http://hdl.handle.net/11104/0264546