| Autor: |
Rvovic MD; Faculty of Science, Department of Chemistry, University of Kragujevac, Kragujevac, Serbia., Divac VM, Puchta R, Bugarčić ZM |
| Jazyk: |
angličtina |
| Zdroj: |
Journal of molecular modeling [J Mol Model] 2011 Jun; Vol. 17 (6), pp. 1251-7. Date of Electronic Publication: 2010 Aug 15. |
| DOI: |
10.1007/s00894-010-0824-3 |
| Abstrakt: |
The mechanism of phenylselenoetherification of pent-4-en-1-ol using some bases (pyridine, triethylamine, quinoline, 2,2'-bipyridine) as catalyst was examined through studies of kinetics of the cyclization, by UV-VIS spectrophotometry. It was demonstrated that the intramolecular cyclization is facilitated in the presence of bases caused by the hydrogen bond between base and alkenol's OH-group. The obtained values for rate constants have shown that the reaction with triethylamine is the fastest one. Quantum chemical calculations (MP2(fc)/6-311+G**//B3LYP/6-311+G**) show, that the transition state of the cyclisation is S(N)2 like. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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