Here you can specify the reaction rate \(k_{2}\), the temperature \(T_{1}\) at which it was measured, and the desired temperature \(T_{2}\).
Based on the
233K and 273K reaction rates of ethylbenzene[1]
with [Fe
IV(O)(TPA)(MeCN)]
2+ and [Fe
IV(O)(QBPA)(MeCN)]
2+,
the
formula used[2] is:
$$ k_{2}(T_{2}) = {k_{2}(T_{1}) \cdot f^{\frac{T_{2} - T_{1}}{10}}}$$
- the adjusted rate \(k_{2}(T_{2}\)) will be determined
- you can change the parameter \(f\) (\(default\) 1.675) if desired
References:
- W. Rasheed, N. Pal, A.M. Aboelenen, S. Banerjee, W.N. Oloo, J.E.M.N. Klein, R. Fan, J. Xiong, Y. Guo and L. Que,
"NMR and Mössbauer Studies Reveal a Temperature-Dependent Switch from S = 1 to 2 in a Nonheme Oxoiron(IV) Complex with Faster C–H Bond Cleavage Rates",
J. Am. Chem. Soc. 2024, 146, 3796-3804
- N. Pal, J. Xiong, M. Jahja, S. Mahri, V.G. Young, Y. Guo, M. Swart and L. Que,
"A 5,000-fold increase in the HAT reactivity of a nonheme FeIV =O complex simply by replacing two pyridines of the pentadentate N4Py ligand with pyrazoles",
Proc. Natl. Acad. Sci. U.S.A. 2025, 122, e2414962122
Last update of document: March 25, 2025
Comments:
M. Swart
