skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: The Reduction-Coupled Oxo Activation (ROA) Mechanism Responsible for the Catalytic Selective Activation and Functionalization of n-Butane to Maleic Anhydride by Vanadium Phosphate Oxide

Journal Article · · Topics in Catalysis
; ;

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Center for Catalytic Hydrocarbon Functionalization (CCHF)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
DOE Contract Number:
SC0001298
OSTI ID:
1384270
Journal Information:
Topics in Catalysis, Vol. 57, Issue 14-16; Related Information: CCHF partners with University of Virginia (lead); Brigham Young University; California Institute of Technology; Colorado School of Mines; University of Maryland; University of North Carolina, Chapel Hill; University of North Texas; Princeton University; The Scripps Research Institute; Yale University; ISSN 1022-5528
Publisher:
Springer
Country of Publication:
United States
Language:
English

References (44)

Generalized Gradient Approximation Made Simple journal October 1996
TPD study of labile oxygen on a (VO)2P2O7 catalyst active in n-butane partial oxidation journal April 1998
Fundamental study of the oxidation of butane over vanadyl pyrophosphate journal August 1985
Single Crystal Growth of the High Pressure Phase of (VO)2P2O7 at 3 GPa journal August 2000
Mechanistic aspects of maleic anhydride synthesis from C4 hydrocarbons over phosphorus vanadium oxide journal January 1988
Modelling the active sites in vanadyl pyrophosphate journal May 2003
Changes of local electronic structure of perfect (VO)2P2O7(100) surface in response to oxygen vacancy formation: effect of electron trapping journal July 2002
Fundamental Studies of Butane Oxidation over Model-Supported Vanadium Oxide Catalysts: Molecular Structure-Reactivity Relationships journal August 1997
Temporal Analysis of Products (TAP)—A Unique Catalyst Evaluation System with Submillisecond Time Resolution journal February 1988
New Foundation for the Use of Pseudopotentials in Metals journal October 1968
Special points for Brillouin-zone integrations journal June 1976
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals journal January 1985
Ab Initio Effective Potentials for Use in Molecular Calculations journal March 1972
Formation of maleic anhydride on a vanadyl pyrophosphate surface: a theoretical study of the mechanism journal March 1991
Desirable catalyst properties in selective oxidation reactions journal June 1986
Dynamic processes on vanadium phosphorous oxides for selective alkane oxidation journal December 1996
On the Mechanism of n-Butane Oxidation to Maleic Anhydride on VPO Catalysts journal February 1994
Nature and mechanism of formation of vanadyl pyrophosphate: Active phase in n-butane selective oxidation journal June 1986
Role of the product in the transformation of a catalyst to its active state journal March 1994
Design and validation of non-metal oxo complexes for C–H activation journal January 2014
Activation of Vanadium Phosphorus Oxide Catalysts for Alkane Oxidation. The Influence of the Oxidation State on Catalyst Selectivity journal December 1994
A molecular level mechanism ofn-butane oxidation to maleic anhydride over vanadyl pyrophosphate journal May 1994
Semiempirical GGA-type density functional constructed with a long-range dispersion correction journal January 2006
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism journal April 1990
A climbing image nudged elastic band method for finding saddle points and minimum energy paths journal December 2000
Ab initio effective potentials for use in molecular quantum mechanics journal November 1974
Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements journal October 1982
Surface acidity of vanadyl pyrophosphate, active phase in n-butane selective oxidation journal March 1986
Role of mixed-valence state in vanadium phosphates catalysts journal May 1997
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points journal December 2000
Methane Activation by Metal-Free Radical Cations: Experimental Insight into the Reaction Intermediate journal April 2009
In situ Raman spectroscopy studies of bulk and surface metal oxide phases during oxidation reactions journal December 1996
The reaction network of the selective oxidation of n-butane on (VO)2P2O7 catalysts: Nature of oxygen containing intermediates journal December 1996
Methane Partial Oxidation by Unsupported and Silica Supported Iron Phosphate Catalysts journal January 1999
Effects of the method of preparing titanium pyrophosphate catalyst on the structure and catalytic activity in oxidative dehydrogenation of n-butane journal September 2003
Fe and Ni AB initio effective potentials for use in molecular calculations journal October 1974
The Kinetic Significance of V5+ in n-Butane Oxidation Catalyzed by Vanadium Phosphates journal January 1997
Activation of C−H Bonds by Metal Complexes journal December 1997
Development and Application of a ReaxFF Reactive Force Field for Oxidative Dehydrogenation on Vanadium Oxide Catalysts journal July 2008
Investigation of the Mechanism of n -Butane Oxidation on Vanadium Phosphorus Oxide Catalysts:  Evidence from Isotopic Labeling Studies journal February 2002
VPO catalyst for n-butane oxidation to maleic anhydride: A goal achieved, or a still open challenge? journal July 2006
The Critical Role of Phosphate in Vanadium Phosphate Oxide for the Catalytic Activation and Functionalization of n -Butane to Maleic Anhydride journal March 2013
Preparation of Vanadium–Phosphorus Mixed Oxide (P/V=1) Catalysts and Their Application to Oxidation of Butane to Maleic Anhydride journal August 1985
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules journal March 1972

Similar Records

The Reduction-Coupled Oxo Activation (ROA) Mechanism Responsible for the Catalytic Selective Activation and Functionalization of n-Butane to Maleic Anhydride by Vanadium Phosphate Oxide
Journal Article · Sat Jul 19 00:00:00 EDT 2014 · Top. Catal. · OSTI ID:1384270
The Critical Role of Phosphate in Vanadium Phosphate Oxide for the Catalytic Activation and Functionalization of n-Butane to Maleic Anhydride
Journal Article · Wed Mar 27 00:00:00 EDT 2013 · J. Am. Chem Soc. · OSTI ID:1384270
The Critical Role of Phosphate in Vanadium Phosphate Oxide for the Catalytic Activation and Functionalization of n -Butane to Maleic Anhydride
Journal Article · Wed Mar 13 00:00:00 EDT 2013 · Journal of the American Chemical Society · OSTI ID:1384270

Related Subjects

catalysis (homogeneous)
catalysis (heterogeneous)
bio-inspired
hydrogen and fuel cells
materials and chemistry by design
synthesis (novel materials)