Mechanism of Selective Oxidation and Ammoxidation of Propene on Bismuth Molybdates from DFT Calculations on Model Clusters

2002 ◽  
Vol 106 (23) ◽  
pp. 5997-6013 ◽  
Author(s):  
Yun Hee Jang ◽  
William A. Goddard
Keyword(s):  
Dft Calculations ◽  
Selective Oxidation ◽  
Bismuth Molybdates

Reactivity of Bismuth Molybdates for Selective Oxidation of Propylene Probed by Correlative Operando Spectroscopies

ACS Catalysis ◽  
2018 ◽  
Vol 8 (7) ◽  
pp. 6462-6475 ◽  
Author(s):  
Paul Sprenger ◽  
Matthias Stehle ◽  
Abhijeet Gaur ◽  
Andreas Martin Gänzler ◽  
Daria Gashnikova ◽  
...  
Keyword(s):  
Selective Oxidation ◽  
Bismuth Molybdates

Catalytic Activities of α, β, γ - Bismuth Molybdates for Selective Oxidation of Propylene to Arcrolein

2014 ◽  
Vol 804 ◽  
pp. 225-228 ◽  
Author(s):  
Le Minh Thang ◽  
Isabel van Driessche
Keyword(s):  
Catalytic Activity ◽  
Selective Oxidation ◽  
Catalytic Activities ◽  
Bismuth Molybdates ◽  
Different Temperatures ◽  
Pure Phases ◽  
Three Phases

Since the order of activity of α, β, γ - bismuth molybdates has been debated in the literature, this article aims to clarify this by testing catalytic activity of three phases prepared by different methods, calcined at different temperatures. The impurity by other phases is one reason differentiate catalytic activity of these catalysts. It can be said that the order of three pure phases is: β slightly > α > γ.Keywords: bismuth molybdates, propylene, catalysts, selective oxidation

Mechanism of Selective Oxidation of Propene to Acrolein on Bismuth Molybdates from Quantum Mechanical Calculations

2007 ◽  
Vol 111 (44) ◽  
pp. 16405-16415 ◽  
Author(s):  
Sanja Pudar ◽  
Jonas Oxgaard ◽  
Kimberly Chenoweth ◽  
Adri C. T. van Duin ◽  
William A. Goddard
Keyword(s):  
Selective Oxidation ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Bismuth Molybdates

Microanalysis of Bismuth Molybdate Phases

1982 ◽  
Vol 40 ◽  
pp. 670-673
Author(s):  
C. E. Lyman
Keyword(s):  
Electron Diffraction ◽  
Selective Oxidation ◽  
Emission Spectroscopy ◽  
Catalytic Properties ◽  
Considerable Time ◽  
Bismuth Molybdate ◽  
X Ray ◽  
Selected Area Electron Diffraction ◽  
Bismuth Molybdates ◽  
Selective Oxidation Catalysts

Bismuth molybdates are widely used as selective oxidation catalysts. Often several phases containing Bi and/or Mo are mixed together to obtain desired catalytic properties. While selected area electron diffraction can identify individual crystalline particles, diffraction techniques usually require considerable time for developing film and analyzing patterns. X-ray emission spectroscopy can identify individual phases containing two detectable elements within a few minutes while the operator is at the microscope.

Selective oxidation of propylene to acrolein by hydrothermally synthesized bismuth molybdates

2014 ◽  
Vol 482 ◽  
pp. 145-156 ◽  
Author(s):  
Kirsten Schuh ◽  
Wolfgang Kleist ◽  
Martin Høj ◽  
Vanessa Trouillet ◽  
Pablo Beato ◽  
...  
Keyword(s):  
Selective Oxidation ◽  
Bismuth Molybdates

Selective oxidation of aniline into azoxybenzene catalyzed by Nb-peroxo@iron oxides at room temperature

2020 ◽  
Vol 44 (21) ◽  
pp. 8710-8717
Author(s):  
André L. D. Lima ◽  
Humberto V. Fajardo ◽  
André E. Nogueira ◽  
Márcio C. Pereira ◽  
Luiz C. A. Oliveira ◽  
...  
Keyword(s):  
Iron Oxides ◽  
Selective Oxidation ◽  
Room Temperature ◽  
High Selectivity

Nb-peroxo@iron oxides show high selectivity and activity in aniline conversion to azoxybenzene.

Structure elucidation of a proton-deficient natural product using LR-HSQMBC supported by DFT calculations

Planta Medica ◽  
2015 ◽  
Vol 81 (11) ◽  
Author(s):  
J Saurí ◽  
STS Chan ◽  
AV Buevich ◽  
KR Gustafson ◽  
RT Williamson ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Natural Product ◽  
Structure Elucidation

pKa of Organoselenium Compounds: Ab Initio and DFT Calculations

2007 ◽  
Author(s):  
Sajjad Karamat ◽  
Juraj Kona ◽  
Walter Fabian
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Organoselenium Compounds ◽  
Ab Initio And Dft
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