Bond‐Bond Interactions in Linear and Angular Molecules

作者: Jules Duchesne , Louis Burnelle

DOI: 10.1063/1.1748500

关键词: Delocalized electronSign (mathematics)Chemical physicsNon-covalent interactionsElectrostaticsAtomic physicsMechanical equilibriumMoleculeChemistryAtomic orbitalResonance (chemistry)Physical and Theoretical ChemistryGeneral Physics and Astronomy

摘要: The vibration potential function of several molecules is studied with special emphasis on the bond‐bond interaction terms. It shown that in case localized bonds a satisfactory correlation results cannot be obtained without assuming existence maximum energy curve. This presumably arises from electrostatic interactions between bond orbitals. As result, terms may either positive or negative, according to position point which represents equilibrium molecule However, this sign seems generally positive, except for hydrogenated bonds. On other hand, delocalized (resonance), general law formulated behavior these when they refer nonadjacent as well adjacent In those cases, part played by dominated resonance effects.

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