Synthesis,crystal structure and silver complexation of a novel saddle-shaped stilbenophane: NMR and theoretical study on the complex |
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Authors: | Hossein Reza Darabi Marjan Azimzadeh Arani Abbas Motamedi Rohoullah Firouzi Rainer Herges Ali Reza Mohebbi |
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Institution: | 1. Chemistry and Chemical Engineering Research Centre of Iran , Tehran, Iran darabi@ccerci.ac.ir;3. Chemistry and Chemical Engineering Research Centre of Iran , Tehran, Iran;4. Otto Diels-Institut für Organische Chemie, Christian-Albrechts-Universit?t Kiel , Kiel, Germany |
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Abstract: | A new Z,Z-stilbenophane was synthesised and characterised. According to an X-ray structure analysis, the structure has a saddle shape, with the π-electrons of the double bonds and the oxygen atoms pointing towards the centre of a cavity. The ligand forms a 1:1 complex with Ag+. Both NMR spectra and theoretical analysis (Gauge-independent atomic orbitals (GIAO) and Quantum theory of atoms in molecules (QTAIM)) suggest that the silver cation is bound within the molecular cavity. The metal is coordinated by the two olefinic double bonds and the four oxygen atoms in an approximately octahedral environment. The coordination motif is unusual because the soft silver cation prefers the interaction with the four hard oxygen atoms over the bonding to the arene units, which is frequently observed in Ag+ arene complexes. |
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Keywords: | stilbenophane saddle shape host–guest systems silver theoretical study |
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