Solvent effects in acid-catalyzed dehydration of the Diels-Alder cycloadduct between 2,5-dimethylfuran and maleic anhydride
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1412029
- Grant/Contract Number:
- SC0001004; AC02-05CH11231
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Chemical Physics
- Additional Journal Information:
- Journal Name: Chemical Physics Journal Volume: 485-486 Journal Issue: C; Journal ID: ISSN 0301-0104
- Publisher:
- Elsevier
- Country of Publication:
- Netherlands
- Language:
- English
Citation Formats
Salavati-fard, Taha, Caratzoulas, Stavros, and Doren, Douglas J. Solvent effects in acid-catalyzed dehydration of the Diels-Alder cycloadduct between 2,5-dimethylfuran and maleic anhydride. Netherlands: N. p., 2017.
Web. doi:10.1016/j.chemphys.2017.01.010.
Salavati-fard, Taha, Caratzoulas, Stavros, & Doren, Douglas J. Solvent effects in acid-catalyzed dehydration of the Diels-Alder cycloadduct between 2,5-dimethylfuran and maleic anhydride. Netherlands. https://doi.org/10.1016/j.chemphys.2017.01.010
Salavati-fard, Taha, Caratzoulas, Stavros, and Doren, Douglas J. Wed .
"Solvent effects in acid-catalyzed dehydration of the Diels-Alder cycloadduct between 2,5-dimethylfuran and maleic anhydride". Netherlands. https://doi.org/10.1016/j.chemphys.2017.01.010.
@article{osti_1412029,
title = {Solvent effects in acid-catalyzed dehydration of the Diels-Alder cycloadduct between 2,5-dimethylfuran and maleic anhydride},
author = {Salavati-fard, Taha and Caratzoulas, Stavros and Doren, Douglas J.},
abstractNote = {},
doi = {10.1016/j.chemphys.2017.01.010},
journal = {Chemical Physics},
number = C,
volume = 485-486,
place = {Netherlands},
year = {Wed Mar 01 00:00:00 EST 2017},
month = {Wed Mar 01 00:00:00 EST 2017}
}
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https://doi.org/10.1016/j.chemphys.2017.01.010
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Works referenced in this record:
A quantum theory of molecular structure and its applications
journal, July 1991
- Bader, Richard F. W.
- Chemical Reviews, Vol. 91, Issue 5
Production of dimethylfuran for liquid fuels from biomass-derived carbohydrates
journal, June 2007
- Román-Leshkov, Yuriy; Barrett, Christopher J.; Liu, Zhen Y.
- Nature, Vol. 447, Issue 7147, p. 982-985
Liquid-Phase Catalytic Processing of Biomass-Derived Oxygenated Hydrocarbons to Fuels and Chemicals
journal, September 2007
- Chheda, Juben N.; Huber, George W.; Dumesic, James A.
- Angewandte Chemie International Edition, Vol. 46, Issue 38, p. 7164-7183
Renewable production of phthalic anhydride from biomass-derived furan and maleic anhydride
journal, January 2014
- Mahmoud, Eyas; Watson, Donald A.; Lobo, Raul F.
- Green Chem., Vol. 16, Issue 1
A DFT study of the acid-catalyzed conversion of 2,5-dimethylfuran and ethylene to p-xylene
journal, January 2013
- Nikbin, Nima; Do, Phuong T.; Caratzoulas, Stavros
- Journal of Catalysis, Vol. 297
Density Functionals with Broad Applicability in Chemistry
journal, February 2008
- Zhao, Yan; Truhlar, Donald G.
- Accounts of Chemical Research, Vol. 41, Issue 2
Natural population analysis
journal, July 1985
- Reed, Alan E.; Weinstock, Robert B.; Weinhold, Frank
- The Journal of Chemical Physics, Vol. 83, Issue 2
Solvent Effects in Acid-Catalyzed Biomass Conversion Reactions
journal, September 2014
- Mellmer, Max A.; Sener, Canan; Gallo, Jean Marcel R.
- Angewandte Chemie International Edition, Vol. 53, Issue 44
p- Xylene Formation by Dehydrative Aromatization of a Diels–Alder Product in Lewis and Brønsted Acidic Zeolites
journal, October 2014
- Nikbin, Nima; Feng, Shuting; Caratzoulas, Stavros
- The Journal of Physical Chemistry C, Vol. 118, Issue 42
A Combined Kinetic−Quantum Mechanical Model for Assessment of Catalytic Cycles: Application to Cross-Coupling and Heck Reactions
journal, March 2006
- Kozuch, Sebastian; Shaik, Sason
- Journal of the American Chemical Society, Vol. 128, Issue 10
Molecular dynamics simulations of aqueous NaCl and KCl solutions: Effects of ion concentration on the single-particle, pair, and collective dynamical properties of ions and water molecules
journal, August 2001
- Chowdhuri, Snehasis; Chandra, Amalendu
- The Journal of Chemical Physics, Vol. 115, Issue 8
How to Conceptualize Catalytic Cycles? The Energetic Span Model
journal, February 2011
- Kozuch, Sebastian; Shaik, Sason
- Accounts of Chemical Research, Vol. 44, Issue 2
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
journal, May 2009
- Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
- The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396
A refinement of everyday thinking: the energetic span model for kinetic assessment of catalytic cycles: Energetic span, a refinement of everyday thinking
journal, April 2012
- Kozuch, Sebastian
- Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 2, Issue 5
Nickel-Tungsten Carbide Catalysts for the Production of 2,5-Dimethylfuran from Biomass-Derived Molecules
journal, February 2014
- Huang, Yao-Bing; Chen, Meng-Yuan; Yan, Long
- ChemSusChem, Vol. 7, Issue 4
Production of Liquid Alkanes by Aqueous-Phase Processing of Biomass-Derived Carbohydrates
journal, June 2005
- Huber, George W.; Chheda, Juben N.; Barrett, Christopher J.
- Science, Vol. 308, Issue 5727, p. 1446-1450
Water – A magic solvent for biomass conversion
journal, January 2015
- Kruse, Andrea; Dahmen, Nicolaus
- The Journal of Supercritical Fluids, Vol. 96
On the lewis acid catalyzed diels-alder reaction of furan. regio- and stereospecific synthesis of substituted cyclohexenols and cyclohexadienols.
journal, January 1982
- Brion, Francis
- Tetrahedron Letters, Vol. 23, Issue 50
Conversion of biomass to selected chemical products
journal, January 2012
- Gallezot, Pierre
- Chem. Soc. Rev., Vol. 41, Issue 4
The Renewable Chemicals Industry
journal, April 2008
- Christensen, Claus Hviid; Rass-Hansen, Jeppe; Marsden, Charlotte C.
- ChemSusChem, Vol. 1, Issue 4
Cycloaddition of Biomass-Derived Furans for Catalytic Production of Renewable p -Xylene
journal, April 2012
- Williams, C. Luke; Chang, Chun-Chih; Do, Phuong
- ACS Catalysis, Vol. 2, Issue 6
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
journal, July 2007
- Zhao, Yan; Truhlar, Donald G.
- Theoretical Chemistry Accounts, Vol. 120, Issue 1-3
Power law relationships between bond length, bond strength and electron density distributions
journal, September 1998
- Gibbs, G. V.; Hill, F. C.; Boisen, M. B.
- Physics and Chemistry of Minerals, Vol. 25, Issue 8
Methane Activation in Gold Cation-Exchanged Zeolites: A DFT Study
journal, April 2012
- Wannakao, Sippakorn; Warakulwit, Chompunuch; Kongpatpanich, Kanokwan
- ACS Catalysis, Vol. 2, Issue 6
“Turning Over” Definitions in Catalytic Cycles
journal, November 2012
- Kozuch, Sebastian; Martin, Jan M. L.
- ACS Catalysis, Vol. 2, Issue 12
Effects of various solvents on the liquefaction of biomass to produce fuels and chemical feedstocks
journal, December 2008
- Liu, Zhengang; Zhang, Fu-Shen
- Energy Conversion and Management, Vol. 49, Issue 12
DFT Study of Solvent Effects in Acid-Catalyzed Diels–Alder Cycloadditions of 2,5-Dimethylfuran and Maleic Anhydride
journal, August 2015
- Salavati-fard, Taha; Caratzoulas, Stavros; Doren, Douglas J.
- The Journal of Physical Chemistry A, Vol. 119, Issue 38
Principal Components of Ionicity
journal, August 1994
- Meister, J.; Schwarz, W. H. E.
- The Journal of Physical Chemistry, Vol. 98, Issue 33
Hydrogen from catalytic reforming of biomass-derived hydrocarbons in liquid water
journal, August 2002
- Cortright, R. D.; Davda, R. R.; Dumesic, J. A.
- Nature, Vol. 418, Issue 6901
Selective hydrogenation of biomass-derived 5-hydroxymethylfurfural (HMF) to 2,5-dimethylfuran (DMF) under atmospheric hydrogen pressure over carbon supported PdAu bimetallic catalyst
journal, September 2014
- Nishimura, Shun; Ikeda, Naoya; Ebitani, Kohki
- Catalysis Today, Vol. 232
A Bond Path: A Universal Indicator of Bonded Interactions
journal, September 1998
- Bader, R. F. W.
- The Journal of Physical Chemistry A, Vol. 102, Issue 37
On the full topology of the Laplacian of the electron density
journal, February 2000
- Popelier, P.
- Coordination Chemistry Reviews, Vol. 197, Issue 1
Effects of γ-valerolactone in hydrolysis of lignocellulosic biomass to monosaccharides
journal, January 2014
- Mellmer, Max A.; Martin Alonso, David; Luterbacher, Jeremy S.
- Green Chem., Vol. 16, Issue 11