Ab initio study of the solvent effect on the basicity of methylamines

S. Galera, A. Oliva, J. M. Lluch, J. Bertrán

Research output: Contribution to journalArticleResearchpeer-review

16 Citations (Scopus)

Abstract

An ab initio study of the irregular ordering of the basicity of methylamines in aqueous solution has been done. The calculations have been carried out with the STO-3G basis set in the framework of the supermolecule model. The results obtained show that the number and strength of hydrogen bonds play an important role in the explanation of the experimental facts. © 1984.
Original languageEnglish
Pages (from-to)15-21
JournalJournal of Molecular Structure: THEOCHEM
Volume110
Issue number1-2
DOIs
Publication statusPublished - 1 Jan 1984

Fingerprint Dive into the research topics of 'Ab initio study of the solvent effect on the basicity of methylamines'. Together they form a unique fingerprint.

Cite this