Emergent Pi-Pi interactions in dynamic imine complexes
Title: Emergent Pi-Pi interactions in dynamic imine complexes
SNIC Project: SNIC 2019/7-88
Project Type: SNIC Small Compute
Principal Investigator: Antanas Karalius <karalius@kth.se>
Affiliation: Kungliga Tekniska högskolan
Duration: 2019-11-07 – 2020-12-01
Classification: 10405
Keywords:

Abstract

We study a self-assembling complex system based on the dipicolinate-mimicking sodium 6-formyl-2-picolinate dynamic imine/hemiacetal ligands. This system shows an emergent and preferential drawbridge-like dynamic pi-pi interaction effect to the opposing meridional ligand in octahedral complexes. We want to model the Interactions and their influenced by ligand net charge, “bridging” aryl group substitution, and coordinating metal charge.