Probing the structures, binding energies, and spin-spin coupling constants of halogen-bonded Azine:ClF complexes
Janet E. Del Bene, Ibón Alkorta, José Elguero
Topics & Concepts
AzineChemistryCoupling constantHalogenBinding energyHalogen bondSpin (aerodynamics)Charge (physics)Ring (chemistry)Computational chemistryCrystallographyAb initioAb initio quantum chemistry methodsAtomic physicsMolecular physicsPhysical chemistryMoleculePhysicsThermodynamicsOrganic chemistryParticle physicsAlkylQuantum mechanicsCrystallography and molecular interactionsStructural and Chemical Analysis of Organic and Inorganic CompoundsSynthesis and Characterization of Heterocyclic Compounds