Experimental and theoretical study on cation-pi interaction of the univalent silver cation with [7]helicene in the gas phase and in the solid state

0450152 - ÚOCHB 2016 RIV NL eng J - Článek v odborném periodiku
Makrlík, E. - Klepetářová, Blanka - Sýkora, D. - Böhm, S. - Vaňura, P. - Storch, Jan
Experimental and theoretical study on cation-pi interaction of the univalent silver cation with [7]helicene in the gas phase and in the solid state.
Chemical Physics Letters. Roč. 635, Aug 16 (2015), s. 355-359. ISSN 0009-2614. E-ISSN 1873-4448
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: [7]helicene * univalent silver cation * crystal structure
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 1.860, rok: 2015

By employing electrospray ionization mass spectrometry (ESI-MS), it was proven experimentally that the [7]helicene Ag+ complex (i.e., [Ag(C30H18)](+)) exists in the gas phase. Further, applying quantum mechanical DFT calculations, the most probable structure of this cationic complex [Ag(C30H18)](+) was derived. Finally, in the solid state, the complex [7]helicene-silver triflate-1.5 hydrate (i.e., C30H18-AgCF3SO3-1.5 H2O), crystallizing in the orthorhombic system with the centro-symmetric Pccn space group, was prepared and analyzed by X-ray crystallography.
Trvalý link: http://hdl.handle.net/11104/0251543