The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(<scp>ii</scp>)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering
Dhrubajyoti Majumdar, Sourav Roy, Antonio Frontera
Abstract
group, were evaluated in a new dimension of DFT. We observed this privileged bonding landscape that leads to the formation of self-assembled dimers in the crystal complexes. DFT-based MEP, RDG surface, NBO, and QTAIM/NCI plot investigation quantified such unique tetrel bonding interactions.
Topics & Concepts
Carbon fibersCrystallographyCrystal engineeringCrystal structureChemistryMaterials scienceSupramolecular chemistryComposite materialComposite numberCrystallography and molecular interactionsMetal-Organic Frameworks: Synthesis and ApplicationsX-ray Diffraction in Crystallography