Cation–π interaction of the univalent silver cation with racemic [6]helicene in the gas phase and in the solid state

ESI-MS method and X-ray crystallography were used for characterization of cation–π interaction. [6]Helicene – Ag+ complex was proven to be present in the gas phase. Monoclinic crystals of [6]helicene – silver hexafluoroantimonate – monohydrate were formed in the solid state. [Display omitted] Employ...

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Bibliographic Details
Published in:Polyhedron 2016-10, Vol.117, p.1-6
Main Authors: Klepetářová, Blanka, Makrlík, Emanuel, Sýkora, David, Böhm, Stanislav, Vaňura, Petr
Format: Article
Language:English
Subjects:
Cation–π interaction
DFT calculations
Helicene
Univalent silver cation
X-ray crystallography
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Summary:ESI-MS method and X-ray crystallography were used for characterization of cation–π interaction. [6]Helicene – Ag+ complex was proven to be present in the gas phase. Monoclinic crystals of [6]helicene – silver hexafluoroantimonate – monohydrate were formed in the solid state. [Display omitted] 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 P21/c, was prepared and analyzed by X-ray crystallography.
ISSN:0277-5387
DOI:10.1016/j.poly.2016.05.016