APPLICATION OF EXPERIMENTAL (FT-ICR) AND THEORETICAL (AM1) METHODS TOTHE STUDY OF PROTON-TRANSFER REACTIONS FOR TAUTOMERIZING AMIDINES IN THE GAS-PHASE

Authors
TAFT RW RACZYNSKA ED MARIA PC LEITO I LEWANDOWSKI W KURG R GAL JF DECOUZON M ANVIA F
Citation
Rw. Taft et al., APPLICATION OF EXPERIMENTAL (FT-ICR) AND THEORETICAL (AM1) METHODS TOTHE STUDY OF PROTON-TRANSFER REACTIONS FOR TAUTOMERIZING AMIDINES IN THE GAS-PHASE, Fresenius' journal of analytical chemistry, 355(3-4), 1996, pp. 412-414
Citations number
20
Categorie Soggetti
Chemistry Analytical
Journal title
Fresenius' journal of analytical chemistry → ACNP
ISSN journal
09370633
Volume
355
Issue
3-4
Year of publication
1996
Pages
412 - 414
Database
ISI
SICI code
0937-0633(1996)355:3-4<412:AOE(AT>2.0.ZU;2-0
Abstract
Semiempirical calculations (AM1) together with experimental mass spect rometric (FT-ICR) data indicate the imino nitrogen atom as the favoure d site of protonation and the amino nitrogen atom as the site of depro tonation of the amidine group in the gas phase. For tautomerizing N-me thyl-N'-phenylbenzamidine the tautomer with the phenyl group at the im ino nitrogen atom weakly predominates in tautomeric mixture.