Experimental and theoretical studies on green and efficient deoximation using H202 catalyzed by Montmorillonite-K10 supported MnC12

محورهای موضوعی : Journal of Physical & Theoretical Chemistry

M. Mahmoodi Hashemi ¹ , A. Ezabadi ² , Gh.R. Najafi ³ , F. Mollaamin ⁴ , M. Khaleghian ⁵ , R. Zhiani ⁶

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تاریخ دریافت : 1394/02/19 تاریخ پذیرش : 1394/02/19 تاریخ انتشار : 1387/05/11

کلید واژه: Green Deoximation System, Hydrogen Peroxide, Montmorillonite K-10, Mangenese (II)&#x0D, &#x0D, Chloride, Ab initio, Relative stability energies, Thermodynamic computation,

چکیده مقاله :

Oximes were oxidized to the corresponding carbonyl compounds in good to high yields by ecofriendlyand green oxidant, H202 catalyzed by Montmorillonite K-10 supported Mangenese(II)Chloride. The structures of these compounds were favorably compared with the results of ab initiocalculations at three temperatures. Computational methods allow for the visualization of largeamounts of structural data and the generation of related conformations for statistical and dynamicanalyses. Clearly, further studies and trapping experiments are necessary to support thismechanism and to account for the formation of organic reagents.Extensive measurements, as well as ab initio quantum computational reveal that the effect oftemperature on formation of products as a function of the actual structures in a manner that israther complicated. In this work, the formation of products is considered as the potentially moregeneral reaction