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Assembly Of Effective Halide Receptors From Components. Comparing Hydrogen, Halogen, Tetrel Bonds, Steve Scheiner
Assembly Of Effective Halide Receptors From Components. Comparing Hydrogen, Halogen, Tetrel Bonds, Steve Scheiner
Chemistry and Biochemistry Faculty Publications
Receptors for halide anions are constructed based on the imidazolium unit, and then replacing the H-bonding C-H group firstby halogen-bonding C-I and then by tetrel-bonding C-SnH3 and C-SiF3.Attaching a phenyl ring to any of these species has little effect on its ability to bind a halide, but incorporation of a second imidazolium to the benzene connector, forming a bidentate dicationic receptor, greatly enhances the binding. Addition of electron-withdrawing F atoms to each imidazolium adds a further increment. F- consistently binds more strongly to the various receptor models than does Cl-. Whereas replacement of the H atom on the imidazolium groups …
Comparison Of Halide Receptors Based On H, Halogen, Chalogen, Pnicogen, And Tetrel Bonds, Steve Scheiner
Comparison Of Halide Receptors Based On H, Halogen, Chalogen, Pnicogen, And Tetrel Bonds, Steve Scheiner
Chemistry and Biochemistry Faculty Publications
A series of halide receptors are constructed and the geometries and energetics of their binding to F-, Cl-, and Br- assessed by quantum calculations. The dicationic receptors are based on a pair of imidazolium units, connected via a benzene spacer. The imidazoliums each donate a proton to a halide in a pair of H-bonds. Replacement of the two bonding protons by Br leads to binding via a pair of halogen bonds. Likewise, chalcogen, pnicogen, and tetrel bonds occur when the protons are replaced, respectively, by Se, As, and Ge. Regardless of the binding group considered, F- is bound much more …