| Analysis of Equilibrium and Kinetics of Chromium-Fluoride Complexation from Spectroscopic Data via Chemometrics Methods |
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| 引用本文： | CHEN Kai ZHU Zhong-liang ZHANG De-jun. Analysis of Equilibrium and Kinetics of Chromium-Fluoride Complexation from Spectroscopic Data via Chemometrics Methods[J]. 高等学校化学研究, 2006, 22(4): 435-438. DOI: 10.1016/S1005-9040(06)60136-0 |
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| 作者姓名： | CHEN Kai ZHU Zhong-liang ZHANG De-jun |
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| 作者单位： | CHEN Kai，ZHU Zhong-liang~ and ZHANG De-jun Department of Chemistry，Tongji University，Shanghai 200092，P. R. China |
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| 基金项目： | 国家高技术研究发展计划(863计划) |
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| 摘 要： | IntroductionStudies on reversible kinetic systems are consi-dered as a hotspot of chemical and biochemical kineticresearches[1,2]. Of late, some researches have been fo-cused on the simultaneous optimization of the obverseand reverse rate constants[3,4].H…
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| 关 键 词： | 金属配位 动力学 平衡 活性中间体 铬-氟配合物 化学计量学 |
| 文章编号： | 1005-9040（2006）-04-435-04 |
| 收稿时间： | 2005-10-10 |
Analysis of Equilibrium and Kinetics of Chromium-Fluoride Complexation from Spectroscopic Data via Chemometrics Methods |
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| Kai CHEN, Zhong-liang ZHU,De-jun ZHANG. Analysis of Equilibrium and Kinetics of Chromium-Fluoride Complexation from Spectroscopic Data via Chemometrics Methods[J]. Chemical Research in Chinese University, 2006, 22(4): 435-438. DOI: 10.1016/S1005-9040(06)60136-0 |
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| Authors: | Kai CHEN Zhong-liang ZHU De-jun ZHANG |
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| Affiliation: | aDepartment of Chemistry, Tongji University, Shanghai 200092, P. R. China |
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| Abstract: | The complexation of Cr3 with F- undergoes a multistep reversible process. An approach to research the involved equilibria and kinetics using suitable chemometrics methods to the online measured UV-Vis spectra is proposed. By investigating the equilibrium spectra of the complexes at different molar ratios of M to L(metal to ligand) and 50 ℃, the result of Principal Component Analysis(PCA) shows that three complexes, ML, ML2 and ML3, can be formed under the research conditions. The spectrum of each complex was then analyzed and the accumulated equilibrium constants were calculated by applying Target Testing Factor Analysis(TTFA). Meanwhile, a reactive intermediate was observed before the formation of MLx during the specific kinetic study at 15 ℃. The equilibrium constant and spectrum of the intermediate as well as the rate constants were all resolved by using TTFA. |
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| Keywords: | Metal complexation Kinetics Equilibrium Reactive intermediate |
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