An article Study of the effect of the ligand structure on the catalytic activity of Pd@ ligand decorated halloysite: Combination of experimental and computational studies WOS:000465346500020 published article about HETEROGENEOUS CATALYST; PALLADIUM NANOPARTICLES; BOND ORDER; NITROBENZENE HYDROGENATION; FUNCTIONALIZED HALLOYSITE; SELECTIVE HYDROGENATION; GREEN SYNTHESIS; BASIS-SETS; NANOTUBES; PSEUDOPOTENTIALS in [Dehghani, Sevda; Bahri-Laleh, Naeimeh; Nekoomanesh-Haghighi, Mehdi] Iran Polymer & Petrochem Inst, Polymerizat Engn Dept, POB 14965-115, Tehran, Iran; [Sadjadi, Samahe] Iran Polymer & Petrochem Inst, Fac Petrochem, Gas Convers Dept, POB 14975-112, Tehran, Iran; [Poater, Albert] Univ Girona, Inst Quim Computac & Catalisi, C Maria Aurelia Capmany 69, Girona 17003, Catalonia, Spain; [Poater, Albert] Univ Girona, Dept Quim, C Maria Aurelia Capmany 69, Girona 17003, Catalonia, Spain in 2019.0, Cited 57.0. Computed Properties of C8H7NO3. The Name is 1-(4-Nitrophenyl)ethanone. Through research, I have a further understanding and discovery of 100-19-6
Taking advantage of computational chemistry, the best diamine for the synthesis of a multi-dentate ligand from the reaction with 3-(trimethoxysilyl) propylisocyanate (TEPI) was selected. Actually, predictive Density Functional Theory (DFT) calculations provided the right diamino chain, i.e. ethylenediamine, capable to sequester a palladium atom, together with the relatively polar solvent toluene, and then undergo the experiments as a selective catalytic agent. The ligand was then prepared and applied for the decoration of the halloysite (Hal) outer surface to furnish an efficient support for the immobilization of Pd nanoparticles. The resulting catalyst exhibited high catalytic activity for hydrogenation of nitroarenes. Moreover, it showed high selectivity towards nitro functional group. The study of the catalyst recyclability confirmed that the catalyst could be recycled for several reaction runs with only slight loss of the catalytic activity and Pd leaching. Hot filtration test also proved the heterogeneous nature of the catalysis.
Computed Properties of C8H7NO3. Bye, fridends, I hope you can learn more about C8H7NO3, If you have any questions, you can browse other blog as well. See you lster.
Reference:
Benzodioxan,
,1,4-Benzodioxane | C8H8O2 – PubChem