Porphyrin’s Ring Current as a Driving Force for Halogen Bond Interactions: A Computational Study

2019-07-16T16:18:13Z (GMT) by Jyoti Rani Hatem M. Titi Ranjan Patra

We demonstrate herein a computational study probing the influence of metalloporphyrin ring current directionality on intermolecular halogen bonding (XB) during supramolecular self-assembly. The results demonstrate that porphyrin ring current can activate or deactivate halogen bonding interactions, an essential superamolecular driving force.