Two-amidine derivatives studied by H-1,C-13, N-14, N-15 NMR and GIAO-CHF calculations

Authors
Wiench, JW Stefaniak, L Grech, E Bednarek, E
Citation
Jw. Wiench et al., Two-amidine derivatives studied by H-1,C-13, N-14, N-15 NMR and GIAO-CHF calculations, J CHEM S P2, (4), 1999, pp. 885-889
Citations number
11
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
ISSN journal
03009580 → ACNP
Issue
4
Year of publication
1999
Pages
885 - 889
Database
ISI
SICI code
0300-9580(199904):4<885:TDSBHN>2.0.ZU;2-1
Abstract
H-1,C-13, N-14, and N-15 NMR data are presented for two amidine derivatives and their complexes with TFA in 1:1 and 1:2 molar ratios. The protonation site at the N5 atom was established based upon the observed coupling consta nts, NOE interactions, and chemical shift change. The GIAO-CHF calculations were also performed for the free bases and their N5 cations.