An asymmetric Schiff base-functionalized gold nanoparticle-based colorimetric sensor for Hg2+ ion determination: experimental and DFT studies

Polyvinyl alcohol-capped citrate-stabilized gold nanoparticles, functionalized with newly synthesized Schiff base derived from 3,4-diaminotoluene and benzaldehyde, to determine Hg2+ ions with HOMO–LUMO orbital study.

On the Power of Geometry over Tetrel Bonds

Tetrel bonds are noncovalent interactions formed by tetrel atoms (as σ-hole carriers) with a Lewis base. Here, we present a computational and molecular orbital study on the effect of the geometry of the substituents around the tetrel atom on the σ-hole and on the binding strengths. We show that changing the angles between substituents can dramatically increase bond strength. In addition, our findings suggest that the established Sn > Ge > Si order of binding strength can be changed in sufficiently distorted molecules due to the enhancement of the charge transfer component, making silicon the strongest tetrel donor.