Unveiling the topology of partially disordered micro-crystalline nitro-perylenediimide with X-aggregate stacking: an integrated approach
Renny Mathew, Aniruddha Mazumder, Praveen Kumar, Julie Matula, Sharmarke Mohamed, Petr Brázda, Mahesh Hariharan, Brijith Thomas
Abstract
-PDI by making use of 3D ED, ssNMR and density functional theory calculations (DFT). The combination of these experimental and theoretical approaches provides great promise in enabling the structural investigation of novel materials with customized properties across various applications, which are, due to the internal disorder, very difficult to study by diffraction techniques. By effectively addressing these challenges, our methodology opens up new avenues for material characterization, thereby driving exciting advancements in the field.
Topics & Concepts
StackingSupramolecular chemistryNitroAggregate (composite)Topology (electrical circuits)Materials scienceChemical physicsNanotechnologyCrystallographyChemistryCrystal structureMathematicsCombinatoricsOrganic chemistryAlkylCrystallography and molecular interactionsCrystallization and Solubility StudiesLipid Membrane Structure and Behavior