Density functional study of complexes between Lewis acids and bases

Vicenç Branchadell, Abdelouahid Sbai, Antonio Oliva

Research output: Contribution to journalArticleResearchpeer-review

54 Citations (Scopus)


Donor-acceptor complexes of ammonia and formaldehyde with MX3 (M = B, Al and X = H, F, Cl) have been studied using density functional methods. The optimized geometries and the formation energies of the complexes have been compared with ab initio results. The interaction between Lewis acids and bases has been analyzed in terms of steric and electronic effects. A different Lewis acidity scale is obtained depending on the Lewis base. This result has been rationalized in terms of the energy necessary to distort the Lewis acid molecules. © 1995 American Chemical Society.
Original languageEnglish
Pages (from-to)6472-6476
JournalJournal of Physical Chemistry
Issue number17
Publication statusPublished - 1 Jan 1995


Dive into the research topics of 'Density functional study of complexes between Lewis acids and bases'. Together they form a unique fingerprint.

Cite this