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Synthesis and characterization of 2,2?-(pyridine-2,6-diyl)bis(1H- benzo[d]imidazol-3-ium) 2,4,6-trimethylbenzenesulfonate chloride by experimental and theoretical methods
The title molecular salt (2), 2,2?-(pyridine-2,6-diyl)bis(1H-benzo[d] imidazol-3-ium) 2,4,6-trimethylbenzenesulfonate chloride (C19H 15N52+¡¤C9H11O 3S-¡¤Cl-), was synthesized unexpectedly from the reaction of 2,6-bis(benzimidazol-2-yl)pyridine (1) with 2-mesitylenesulfonyl chloride. Spectroscopic techniques (FT-IR, NMR and UV-vis.) were used to characterize compounds 1 and 2. Solid-state structure of compound 2 was identified by X-ray crystallography. Theoretical characterization of the spectroscopic properties of compounds 1 and 2 was achieved using the density functional theory (DFT) method with the 6-311G(d,p) basis set, and the results were checked against the experimental data. Electronic absorption spectra of the compounds have also been obtained.
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Reference£º
Chapter 1 An introduction to palladium catalysis,
Palladium/carbon catalyst regeneration and mechanical application method