Communication of electronic information over nanometer distances with supramolecular transduction. An experimental and density functional investigation

We have synthesized a family of conjugated diaminotriazine-functionalized r eceptors. Variation of distal functionality modulated the affinity of these receptors for flavin, demonstrating efficient electronic communication ove r a distance of 11 Angstrom. The origin of this communication was explored using DFT methodology. These calculations demonstrate that modulation of re cognition in these systems is derived from a complex push-pull type mechani sm.