Unprecedented formation of an N-benzamidobisthiourea derivative

What is it about?

N-amidothioureas serve as a new generation of thiourea based anion receptors.In this study a novel N-benzamidobisthiourea derivative with two thiourea groups attached to a single N-atom is reported.This has been utilized as a new class of anion receptor. Tuning of its emission from the locally excited (LE) state to the charge transfer (CT) state was observed specifically for fluoride ion.

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Why is it important?

Formation of N-benzamidobisthiourea derivative with two thiourea groups attached to a single N-atom is unprecedented. The presence of a bisthiourea group can be expected to enhance the electron donating ability during anion binding as compared to amidothiourea itself. When 1 adds to fluoride anion, a new emission state was formed which was confirmed by 3D contour spectral studies. The unusual absorption and emission maxima of 1, and the novel spectral response with F addition were rationalized by Density Functional Theory (DFT) computations at B3LYP/6-31+G* level.