An explicit DFT modeling of water surroundings on the electron paramagnetic resonance properties of 4-amino-2,2,6,6-tetramethyl-piperidine-N-oxyl (TA) has been performed. A stepwise hydration of TA is accompanied with certain changes in geometrical parameters (bond lengths and angles) and redistribu
Solvent and structural effects on the oxidation of 2,6-diphenyl-piperidin-4-ones by quinolinium chlorochromate
โ Scribed by S. Saravana Kanna; K. P. Elango
- Book ID
- 102443183
- Publisher
- John Wiley and Sons
- Year
- 2002
- Tongue
- English
- Weight
- 118 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0538-8066
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โฆ Synopsis
Abstract
The kinetics of oxidation of 3โRโ2,6โdiphenylโpiperidinโ4โones (where R = H, Me, Et, and iโPr) by quinolinium chlorochromate has been studied under pseudoโfirstโorder conditions in different pure (protic and aprotic) solvents. The rate data is correlated with different solvent parameters using linear multiple regression analysis. From the regression coefficients, information on the solventโreactant and the solventโtransition state interactions is obtained and the solvation models are proposed. Reasons for the difference in reactivity with structure are also discussed. ยฉ 2002 Wiley Periodicals, Inc. Int J Chem Kinet 34: 585โ588, 2002
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