Understanding Trends in Molecular Bond Angles
G. Linker, Piet Th. van Duijnen, Ria Broer
Abstract
. The physical underpinning is provided by the extended Debye polarizability model for the chemical bond angle, hence our present findings also serve as validation of this simple classical model. We use experimental bond angles from the literature and, where not available, we optimize molecular geometries with quantum chemical methods, with an open mind with regards to the stability of these molecules. We consider main group elements up to and including the sixth period of the periodic table.
Topics & Concepts
PolarizabilityMolecular geometryMoleculeBond lengthTriatomic moleculeChemical bondChemistryComputational chemistryPhysicsMolecular physicsAtomic physicsQuantum mechanicsOrganic Chemistry Cycloaddition ReactionsAdvanced Chemical Physics StudiesChemical Reaction Mechanisms