Vibrational properties of levulinic acid and furan derivatives: Raman spectroscopy and theoretical calculations

Kim, Taejin; Assary, Rajeev S.; Curtiss, Larry A.; Marshall, Christopher L.; Stair, Peter C.

doi:10.1002/jrs.2951

Title: Vibrational properties of levulinic acid and furan derivatives: Raman spectroscopy and theoretical calculations

Journal Article · Tue May 10 00:00:00 EDT 2011 · Journal of Raman Spectroscopy

DOI:https://doi.org/10.1002/jrs.2951· OSTI ID:1380910

Kim, Taejin; Assary, Rajeev S.; Curtiss, Larry A.; Marshall, Christopher L.; Stair, Peter C.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Institute for Atom-efficient Chemical Transformations (IACT)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1380910

Journal Information:: Journal of Raman Spectroscopy, Vol. 42, Issue 12; Related Information: IACT partners with Argonne National Laboratory (lead); Brookhaven National Laboratory; Northwestern University; Purdue University; University of Wisconsin at Madison; ISSN 0377-0486

Publisher:: Wiley

Country of Publication:: United States

Language:: English

References (28)

Levulinic Acid as a Basic Chemical Raw Material Leonard, Reid H. Industrial & Engineering Chemistry, Vol. 48, Issue 8 https://doi.org/10.1021/ie50560a033	journal	August 1956
Nanoparticles with Raman Spectroscopic Fingerprints for DNA and RNA Detection Cao, Y. C. Science, Vol. 297, Issue 5586 https://doi.org/10.1126/science.297.5586.1536	journal	August 2002
Dimensionally Modulated, Single-Crystalline LiMPO ₄ (M= Mn, Fe, Co, and Ni) with Nano-Thumblike Shapes for High-Power Energy Storage Murugan, A. Vadivel; Muraliganth, T.; Ferreira, P. J. Inorganic Chemistry, Vol. 48, Issue 3 https://doi.org/10.1021/ic8015723	journal	February 2009
Furfuryl Alcohol Polymerization in H−Y Confined Spaces: Reaction Mechanism and Structure of Carbocationic Intermediates Bertarione, S.; Bonino, F.; Cesano, F. The Journal of Physical Chemistry B, Vol. 112, Issue 9 https://doi.org/10.1021/jp073958q	journal	February 2008
An Evaluation of Harmonic Vibrational Frequency Scale Factors Merrick, Jeffrey P.; Moran, Damian; Radom, Leo The Journal of Physical Chemistry A, Vol. 111, Issue 45 https://doi.org/10.1021/jp073974n	journal	November 2007
Predicted thermochemistry for chemical conversions of 5-hydroxymethylfurfural Assary, Rajeev S.; Redfern, Paul C.; Hammond, Jeff R. Chemical Physics Letters, Vol. 497, Issue 1-3 https://doi.org/10.1016/j.cplett.2010.07.082	journal	September 2010
Micro-FTIR and Micro-Raman Studies of a Carbon Film Prepared from Furfuryl Alcohol Polymerization Bertarione, S.; Bonino, F.; Cesano, F. The Journal of Physical Chemistry B, Vol. 113, Issue 31 https://doi.org/10.1021/jp9050534	journal	July 2009
Surface Acidity and Properties of TiO ₂ /SiO ₂ Catalysts Prepared by Atomic Layer Deposition: UV−visible Diffuse Reflectance, DRIFTS, and Visible Raman Spectroscopy Studies Lu, Junling; Kosuda, Kathryn M.; Van Duyne, Richard P. The Journal of Physical Chemistry C, Vol. 113, Issue 28 https://doi.org/10.1021/jp902200c	journal	June 2009
Raney Ni-Sn Catalyst for H2 Production from Biomass-Derived Hydrocarbons Huber, G. W. Science, Vol. 300, Issue 5628 https://doi.org/10.1126/science.1085597	journal	June 2003
Mechanism of levulinic acid formation Horvat, Jaroslav; Klaić, Branimir; Metelko, Biserka Tetrahedron Letters, Vol. 26, Issue 17, p. 2111-2114 https://doi.org/10.1016/S0040-4039(00)94793-2	journal	January 1985
Lignocellulose conversion: an introduction to chemistry, process and economics Lange, Jean-Paul Biofuels, Bioproducts and Biorefining, Vol. 1, Issue 1, p. 39-48 https://doi.org/10.1002/bbb.7	journal	January 2007
Molecular/electronic structure–surface acidity relationships of model-supported tungsten oxide catalysts Kim, T.; Burrows, A.; Kiely, C. Journal of Catalysis, Vol. 246, Issue 2 https://doi.org/10.1016/j.jcat.2006.12.018	journal	March 2007
Production of Platform Chemicals and Synthesis Gas from Biomass Kamm, B. Angewandte Chemie International Edition, Vol. 46, Issue 27 https://doi.org/10.1002/anie.200604514	journal	July 2007
Identifying the isolated transition metal ions/oxides in molecular sieves and on oxide supports by UV resonance Raman spectroscopy Li, Can Journal of Catalysis, Vol. 216, Issue 1-2 https://doi.org/10.1016/S0021-9517(02)00107-0	journal	May 2003
Synthesis of Transportation Fuels from Biomass: Chemistry, Catalysts, and Engineering Huber, George W.; Iborra, Sara; Corma, Avelino Chemical Reviews, Vol. 106, Issue 9, p. 4044-4098 https://doi.org/10.1021/cr068360d	journal	September 2006
A kinetic study on the decomposition of 5-hydroxymethylfurfural into levulinic acid Girisuta, B.; Janssen, L. P. B. M.; Heeres, H. J. Green Chemistry, Vol. 8, Issue 8 https://doi.org/10.1039/b518176c	journal	January 2006
Comparison between Optimized Geometries and Vibrational Frequencies Calculated by the DFT Methods El-Azhary, A. A.; Suter, H. U. The Journal of Physical Chemistry, Vol. 100, Issue 37 https://doi.org/10.1021/jp960618o	journal	January 1996
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 Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G. The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396 https://doi.org/10.1021/jp810292n	journal	May 2009
Computational Studies of the Thermochemistry for Conversion of Glucose to Levulinic Acid Assary, Rajeev S.; Redfern, Paul C.; Hammond, Jeff R. The Journal of Physical Chemistry B, Vol. 114, Issue 27 https://doi.org/10.1021/jp101418f	journal	July 2010
Integrated Catalytic Conversion of γ-Valerolactone to Liquid Alkenes for Transportation Fuels Bond, J. Q.; Alonso, D. M.; Wang, D. Science, Vol. 327, Issue 5969, p. 1110-1114 https://doi.org/10.1126/science.1184362	journal	February 2010
Vibrational spectra of partially oriented molecules having two conformers in nematic and isotropic solutions: furfural and 2-chlorobenzaldehyde Rogojerov, M.; Keresztury, G.; Jordanov, B. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 61, Issue 7 https://doi.org/10.1016/j.saa.2004.11.043	journal	May 2005
Catalytic conversion of biomass-derived carbohydrates to fuels and chemicals by formation and upgrading of mono-functional hydrocarbon intermediates West, Ryan M.; Kunkes, Edward L.; Simonetti, Dante A. Catalysis Today, Vol. 147, Issue 2 https://doi.org/10.1016/j.cattod.2009.02.004	journal	September 2009
Factors Influencing the Quality of Carbon Coatings on LiFePO[sub 4] Wilcox, James D.; Doeff, Marca M.; Marcinek, Marek Journal of The Electrochemical Society, Vol. 154, Issue 5 https://doi.org/10.1149/1.2667591	journal	January 2007
Catalytic fast pyrolysis of glucose with HZSM-5: The combined homogeneous and heterogeneous reactions Carlson, Torren R.; Jae, Jungho; Lin, Yu-Chuan Journal of Catalysis, Vol. 270, Issue 1 https://doi.org/10.1016/j.jcat.2009.12.013	journal	March 2010
Levulinic acid in organic synthesis Timokhin, Boris V.; Baransky, V. A.; Eliseeva, G. D. Russian Chemical Reviews, Vol. 68, Issue 1 https://doi.org/10.1070/RC1999v068n01ABEH000381	journal	January 1999
Production of levulinic acid and use as a platform chemical for derived products Bozell, Joseph J.; Moens, L.; Elliott, D. C. Resources, Conservation and Recycling, Vol. 28, Issue 3-4, p. 227-239 https://doi.org/10.1016/S0921-3449(99)00047-6	journal	February 2000
Conversion of Furfuryl Alcohol into Ethyl Levulinate using Solid Acid Catalysts Lange, Jean-Paul; van de Graaf, Wouter D.; Haan, René J. ChemSusChem, Vol. 2, Issue 5 https://doi.org/10.1002/cssc.200800216	journal	May 2009
Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors Scott, Anthony P.; Radom, Leo The Journal of Physical Chemistry, Vol. 100, Issue 41 https://doi.org/10.1021/jp960976r	journal	January 1996

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Title: Vibrational properties of levulinic acid and furan derivatives: Raman spectroscopy and theoretical calculations

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References (28)

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