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SAPT: ligação de hidrogênio ou interação de van der Waals?

2012; Brazilian Chemical Society; Volume: 35; Issue: 10 Linguagem: Inglês

10.1590/s0100-40422012001000021

1678-7064

Boaz G. Oliveira, Regiane C. M. U. Araújo,

Photochemistry and Electron Transfer Studies

SAPT: HYDROGEN BOND OR van der WAALS INTERACTION?It is through the application of an electronic partition approach called Symmetry-Adapted Perturbation Theory (SAPT) that the nature of hydrogen bonds and van der Waals interactions can be unveiled according to the contribution of electrostatic, charge transfer, exchange repulsion, polarization, and dispersion terms.Among these, electrostatic partition governs the formation of the hydrogen bonds, whose energies are arguably high.However, the weakness of the interaction strength is caused by dispersion forces, whose contribution decisively lead to the stabilization of complexes formed via van der Waals interactions.