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1 article(s) from Jha, Prafulla K

Spectral and DFT studies of anion bound organic receptors: Time dependent studies and logic gate applications

Srikala Pangannaya,
Neethu Padinchare Purayil,
Shweta Dabhi,
Venu Mankad,
Prafulla K. Jha,
Satyam Shinde and
Darshak R. Trivedi

Beilstein J. Org. Chem. 2017, 13, 222–238, doi:10.3762/bjoc.13.25

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Graphical Abstract

Figure 1: Color change observed for R1 (4.5 × 10⁻⁵ Min DMSO) in the presence of 1 equiv of different anions (...

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Figure 2: Color change observed for R2 (4.5 × 10⁻⁵ M in DMSO) in the presence of 1 equiv of different anions ...

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Figure 3: UV–vis titration spectra of receptor R1 (4.5 × 10⁻⁵ M in DMSO) obtained by the incremental addition...

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Figure 4: UV–vis titration spectra of receptor R1 (4.5 × 10⁻⁵ M in DMSO) obtained by the incremental addition...

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Figure 5: B–H plot of the R1–F⁻ complex at a selected wavelength of 477 nm.

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Figure 6: B–H plot of the R1–AcO⁻ complex at a selected wavelength of 492 nm.

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Figure 7: UV–vis titration spectra of receptor R2 (4.5 × 10⁻⁵ M in DMSO) obtained by the incremental addition...

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Figure 8: UV–vis titration spectra of receptor R2 (4.5 × 10^–5 M in DMSO) obtained by the incremental addition...

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Figure 9: B–H plot of the R2–F⁻ complex at a selected wavelength of 560 nm.

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Figure 10: B–H plot of the R2–AcO⁻ complex at a selected wavelength of 560 nm.

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Figure 11: Color change of receptor R1 upon the addition of NaF and mouthwash.

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Figure 12: Color change of receptor R2 upon the addition of NaF and mouthwash.

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Figure 13: Time dependent plot of first order rate equation to determine the rate constant from the UV–vis spe...

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Figure 14: Time dependent plot of first order rate equation to determine the rate constant from the UV–vis spe...

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Figure 15: ¹H NMR titration spectra of R1 upon incremental addition of AcO⁻ ion.

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Figure 16: ¹H NMR titration spectra of R2 upon incremental addition of AcO⁻ ion.

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Figure 17: Optimized structure of receptor R1; (a) HOMO, (b) LUMO.

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Figure 18: Optimized structure of the receptor R2; (a) HOMO, (b) LUMO.

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Figure 19: Optimized structure of the R1-F⁻ complex; (a) HOMO, (b) LUMO.

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Figure 20: Optimized structure of the R1-AcO⁻ complex; (a) HOMO, (b) LUMO.

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Figure 21: Optimized structure of the R2-F⁻ complex; (a) HOMO, (b) LUMO.

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Figure 22: Optimized structure of the R2-AcO⁻ complex; (a) HOMO, (b) LUMO.

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Scheme 1: Proposed binding mechanism of R1 with fluoride ion.

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Scheme 2: Proposed binding mechanism of R1 with acetate ion.

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Scheme 3: Possible binding mechanism of R2 with acetate ion.

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Scheme 4: Proposed binding mechanism of R2 with fluoride ion.

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Figure 23: Logic circuit for the “INHIBIT” gate of receptor R1.

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Scheme 5: General scheme for the synthesis of receptors R1 and R2.

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Published 06 Feb 2017

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