|کد مقاله||کد نشریه||سال انتشار||مقاله انگلیسی||ترجمه فارسی||نسخه تمام متن|
|6455669||1419764||2017||13 صفحه PDF||سفارش دهید||دانلود رایگان|
- Ammoxidation of 2-chlorotoluene over alumina-supported V2O5 catalyst prepared by solution combustion method has been studied.
- A maximum yield of 76% of 2-CLBN was obtained at a temperature of 425Â Â°C.
- A mechanism for the reaction is proposed via the use of DFT.
- We attempted to report the various sites in the catalyst using DFT.
Ammoxidation of 2-chlorotoluene (2-CLT) has been carried out over vanadates and supported vanadates in the temperature range 350-450Â Â°C. The catalysts were characterized by XRD, XPS, FT-IR, and Raman and surface area measurement. A maximum yield of 76% of 2-CLBN was obtained at a temperature of 425Â Â°C and a 2-CLT:NH3:air mole ratio of 1:8:22. DFT computations suggest that the reaction follows a Mars-van Krevelen (MVK) type of redox mechanism. The catalyst is first reduced by ammonia, producing an imine species. The 2-CLT molecule is also adsorbed through a vanadyl oxygen to produce a CH2C6H5 species. This moiety is adsorbed over the catalyst through an imine formed on the surface to produce 2-chlorobenzonitrile. XPS spectra of fresh and spent catalysts confirm reduction of the catalyst during ammoxidation.
Ammoxidation of 2-chlorotoluene (2-CLT) over alumina-supported V2O5 catalyst has been optimized and a mechanism for the reaction has been proposed using DFT.96
Journal: Journal of Catalysis - Volume 345, January 2017, Pages 245-257