Bifunctionalization of α,β-unsaturated diaryl ketones into α-aryl-β,β-ditosyloxy ketones: Single crystal XRD, DFT, FMOs, molecular electrostatic potential, hirshfeld surface analysis, and 3D-energy frameworks
Ravinder Kumar, Raj Kamal, Vipan Kumar, Jai Parkash
Topics & Concepts
ChemistryMonoclinic crystal systemArylDensity functional theoryCrystallographyCrystal structureSingle crystalHOMO/LUMOProton NMRCrystal (programming language)Mulliken population analysisMolecular orbitalCarbon-13 NMRMoleculeStereochemistryComputational chemistryOrganic chemistryAlkylComputer scienceProgramming languageSynthesis and Biological EvaluationSynthesis of heterocyclic compoundsSynthesis and Reactions of Organic Compounds