Solvent effects on relative stability of meridine and its tautomer: MO calculations

Authors
Sato, T Kataoka, M
Citation
T. Sato et M. Kataoka, Solvent effects on relative stability of meridine and its tautomer: MO calculations, HETEROCYCLE, 54(1), 2001, pp. 55-60
Citations number
9
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
HETEROCYCLES
ISSN journal
03855414 → ACNP
Volume
54
Issue
1
Year of publication
2001
Pages
55 - 60
Database
ISI
SICI code
0385-5414(20010101)54:1<55:SEORSO>2.0.ZU;2-A
Abstract
The solvent effect on the ground-state energy difference of meridine (enol form) and meridin-12(13H)-one (keto form) is examined by use of AM1 acid CO SMO methods. The results show that solvents stabilize the keto form more th an the enol form. In apolar solvents, the enol form is the predominant spec ies, whereas in polar solvents, the enol and keto forms are present in an a lmost equal amount.