Carbon-13 Isotope Fractionation and Carbon-13 Kinetic Isotope Effect in the Oxidation of Perdeuteriated Sodium Butyrate with Manganate in 3 M Sodium Hydroxide Solution

• Autorzy: Zielińska A. , Zieliński M.
• Języki publikacji: EN

Abstrakty

EN

Carbon-13 kinetic isotope effect in the oxidation of single methylene 13C–2H bond of perdeuteriated sodium butyrate, CD3(CD2)2COONa, has been determined by measuring the isotope composition of cumulative carbon dioxide derived from carbonates and oxalates obtained at partial oxidation’s of perdeuteriated butyrate with manganate, MnO4 2- , in 3MNaOH. The experimental 13CKIEs have been reproduced by applying two quantum mechanical corrections to the absolute rates of chemical reaction: the first correction caused by the difference of zero point energy of (13C–2H/12C–2H) isotopic bonds and the quantum mechanical correction for tunneling of 12C and 13C. The reaction energy barrier was approximated by the Bell inverted parabola. The good agreement between experimental and theoretical results was achieved already in the first approximation by taking the half width of the energy barrier equal 5x10–11 m.

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2000
• Tom: Vol. 74, nr 12
• Strony: 1751--1751
• Opis fizyczny: –1754, Bibliogr. 9 poz., rys.

Twórcy

autor

Zielińska A.

autor

Zieliński M.

• Faculty of Chemistry, Jagiellonian University, 30060 Kraków, Poland