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


Autoria(s): Oliveira,Boaz G.; Araújo,Regiane C. M. U.
Data(s)

01/01/2012

Resumo

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.

Formato

text/html

Identificador

http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422012001000021

Idioma(s)

pt

Publicador

Sociedade Brasileira de Química

Fonte

Química Nova v.35 n.10 2012

Palavras-Chave #hydrogen bonds #van der Waals interactions #SAPT
Tipo

journal article