Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands
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Blagojević, Vladimir A.
Minić, Dragica M.
Article (Published version)
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A Zn(II) complex with N-benzyloxycarbonylglycinato ligands was studied by non-isothermal methods, in particular Kissinger-Akahira-Sunose's method, and further analysis of these results was performed by Vyazovkin's algorithm and an artificial compensation effect. Density functional theory calculations of thermodynamic quantities were performed, and results obtained by both methods are consistent, thus clarifying the mechanism of this very interesting multi-step degradation.
Keywords:Transition metals compounds / Thermochemistry / Density functional theory / Reaction mechanisms
Source:Monatshefte Fur Chemie, 2012, 143, 8, 1133-1139
- Springer Wien, Wien