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Volumn 114, Issue 23, 2010, Pages 8009-8021

Theoretical and Raman Spectroscopic Studies of Phenolic Lignin Model Monomers

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; LIGNIN; PHENOLS; RAMAN SCATTERING; SPECTROSCOPIC ANALYSIS; STRUCTURAL ANALYSIS;

EID: 77953399115     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1028239     Document Type: Article
Times cited : (82)

References (49)
  • 3
    • 0028428720 scopus 로고
    • Raman spectral features associated with chromophores in high-yield pulps
    • Agarwal, U. P.; Atalla, R. H. Raman Spectral Features Associated with Chromophores in High-Yield Pulps J Wood Chem. Technol. 1994, 14, 227-241
    • (1994) J Wood Chem. Technol. , vol.14 , pp. 227-241
    • Agarwal, U.P.1    Atalla, R.H.2
  • 4
    • 84986846068 scopus 로고
    • Recording raman-spectra from plant-cell walls
    • Atalla, R. H.; Agarwal, U. P. Recording Raman-Spectra from Plant-Cell Walls J. Raman Spectrosc. 1986, 17 (2) 229-231
    • (1986) J. Raman Spectrosc. , vol.17 , Issue.2 , pp. 229-231
    • Atalla, R.H.1    Agarwal, U.P.2
  • 5
    • 84947533930 scopus 로고
    • Classification of lignins from different botanical origins by FT-IR spectroscopy
    • Faix, O. Classification of Lignins from Different Botanical Origins by FT-IR Spectroscopy Holzforschung 1991, 45, 21-27
    • (1991) Holzforschung , vol.45 , pp. 21-27
    • Faix, O.1
  • 7
    • 70450202548 scopus 로고    scopus 로고
    • Near-IR surface enhanced Raman spectrum of Lignin
    • Agarwal, U. P.; Reiner, S. R. Near-IR Surface Enhanced Raman Spectrum of Lignin J. Raman Spectrosc. 2009, 40, 1527-1534
    • (2009) J. Raman Spectrosc. , vol.40 , pp. 1527-1534
    • Agarwal, U.P.1    Reiner, S.R.2
  • 8
    • 0035995943 scopus 로고    scopus 로고
    • Determination of the Carbonyl Groups in Native Lignin Utilizing Fourier Tranform Raman Spectroscopy
    • Kihara, M.; Takayama, M.; Wariishi, H.; Tanaka, H. Determination of the Carbonyl Groups in Native Lignin Utilizing Fourier Tranform Raman Spectroscopy Spectrochim. Acta, Part A 2002, 58, 2213-221
    • (2002) Spectrochim. Acta, Part A , vol.58 , pp. 2213-2221
    • Kihara, M.1    Takayama, M.2    Wariishi, H.3    Tanaka, H.4
  • 9
    • 20344391944 scopus 로고    scopus 로고
    • FT-Raman Invetigation of Bleaching of Spruce Thermomechanical Pulp
    • Agarwal, U. P.; Landucci, L. L. FT-Raman Invetigation of Bleaching of Spruce Thermomechanical Pulp J. Pulp Pap. Sci. 2004, 30, 269-274
    • (2004) J. Pulp Pap. Sci. , vol.30 , pp. 269-274
    • Agarwal, U.P.1    Landucci, L.L.2
  • 10
    • 0031271347 scopus 로고    scopus 로고
    • FT-Raman Spectroscopy of Wood Identifying Contributions of Lignin and Carbohydrate Polymers in the Spectrum of Black Spruce (Picea mariana)
    • Agarwal, U. P.; Ralph, S. A. FT-Raman Spectroscopy of Wood Identifying Contributions of Lignin and Carbohydrate Polymers in the Spectrum of Black Spruce (Picea mariana) Appl. Spectrosc. 1997, 51, 1648-1655
    • (1997) Appl. Spectrosc. , vol.51 , pp. 1648-1655
    • Agarwal, U.P.1    Ralph, S.A.2
  • 11
    • 0030903905 scopus 로고    scopus 로고
    • Fourier-Transform Infrared and Raman Spectroscopic Evidence for the Incorporation of Cinnamaldehydes into the Lignin of Transgenic Tobacco (Nicotiana tabacum L.) Plants with Reduced Expression of Cinnamyl Alcohol Dehydrogenase
    • Stewart, D.; Yahiaoui, N.; McDougall, G. J.; Myton, K.; Marque, C.; Boudet, A. M.; Haigh, J. Fourier-Transform Infrared and Raman Spectroscopic Evidence for the Incorporation of Cinnamaldehydes into the Lignin of Transgenic Tobacco (Nicotiana tabacum L.) Plants with Reduced Expression of Cinnamyl Alcohol Dehydrogenase Planta 1997, 201, 311-318
    • (1997) Planta , vol.201 , pp. 311-318
    • Stewart, D.1    Yahiaoui, N.2    McDougall, G.J.3    Myton, K.4    Marque, C.5    Boudet, A.M.6    Haigh, J.7
  • 12
    • 24144459827 scopus 로고    scopus 로고
    • Structural Analysis of Lignin by Resonance Raman Spectroscopy
    • Barsberg, S.; Matousek, P.; Towrie, M. Structural Analysis of Lignin by Resonance Raman Spectroscopy Macromol. Biosci. 2005, 5, 743-752
    • (2005) Macromol. Biosci. , vol.5 , pp. 743-752
    • Barsberg, S.1    Matousek, P.2    Towrie, M.3
  • 13
    • 33646187285 scopus 로고    scopus 로고
    • Lignin Radicals in the Plant Cell Wall Probed by Kerr-Gated Resonance Raman Spectroscopy
    • Barsberg, S.; Matousek, P.; Towrie, M.; Jorgensen, H.; Felby, C. Lignin Radicals in the Plant Cell Wall Probed by Kerr-Gated Resonance Raman Spectroscopy Biophys. J. 2006, 90, 2978-2986
    • (2006) Biophys. J. , vol.90 , pp. 2978-2986
    • Barsberg, S.1    Matousek, P.2    Towrie, M.3    Jorgensen, H.4    Felby, C.5
  • 14
    • 33646513709 scopus 로고    scopus 로고
    • Application of UV-Vis and Resonance Raman Spectroscopy to Study Bleaching and Photoyellowing of Thermomechanical Pulps
    • Jaaskelainen, A. S.; Saariaho, A. M.; Vyorykka, J.; Vuorinen, T.; Matousek, P.; Parker, A. W. Application of UV-Vis and Resonance Raman Spectroscopy To Study Bleaching and Photoyellowing of Thermomechanical Pulps Holzforschung 2006, 60, 231-238
    • (2006) Holzforschung , vol.60 , pp. 231-238
    • Jaaskelainen, A.S.1    Saariaho, A.M.2    Vyorykka, J.3    Vuorinen, T.4    Matousek, P.5    Parker, A.W.6
  • 15
    • 77953435898 scopus 로고    scopus 로고
    • Kerr-Gated Resonance Raman Spectroscopy in the Studies of Lignin Polymerization
    • Council Cent. Lab. Research Councils: Chilton Didcot, U.K
    • Larsen, K. L.; Barsberg, S.; Ronayne, K. L.; Parker, A. W.; Mateusek, P.; Towrie, M. Kerr-Gated Resonance Raman Spectroscopy in the Studies of Lignin Polymerization. Annual Report 2004-2005; Council Cent. Lab. Research Councils: Chilton Didcot, U.K., 2005.
    • (2005) Annual Report 2004-2005
    • Larsen, K.L.1    Barsberg, S.2    Ronayne, K.L.3    Parker, A.W.4    Mateusek, P.5    Towrie, M.6
  • 16
    • 0037280187 scopus 로고    scopus 로고
    • Ultraviolet Resonance Raman Spectroscopy in Lignin Analysis: Determination of Characteristic Vibrations of p-Hydroxyphenyl, Guaiacyl, and Syringyl Lignin Structures
    • Saariaho, A. M.; Jaaskelainen, A. S.; Nuopponen, M.; Vuorinen, T. Ultraviolet Resonance Raman Spectroscopy in Lignin Analysis: Determination of Characteristic Vibrations of p-Hydroxyphenyl, Guaiacyl, and Syringyl Lignin Structures Appl. Spectrosc. 2003, 57, 58-66
    • (2003) Appl. Spectrosc. , vol.57 , pp. 58-66
    • Saariaho, A.M.1    Jaaskelainen, A.S.2    Nuopponen, M.3    Vuorinen, T.4
  • 17
    • 11344275457 scopus 로고    scopus 로고
    • Development of the Partial Least Squares Models for the Interpretation of the UV Resonance Raman Spectra of Lignin Model Compounds
    • Saariaho, A. M.; Argyropoulos, D. S.; Jaaskelainen, A. S.; Vuorinen, T. Development of the Partial Least Squares Models for the Interpretation of the UV Resonance Raman Spectra of Lignin Model Compounds Vib. Spectrosc. 2005, 37, 111-121
    • (2005) Vib. Spectrosc. , vol.37 , pp. 111-121
    • Saariaho, A.M.1    Argyropoulos, D.S.2    Jaaskelainen, A.S.3    Vuorinen, T.4
  • 18
    • 34250333055 scopus 로고    scopus 로고
    • The Formation of LC and Other Aromatic End-Group Structures in O-Alkyl-Substituted Cellulose during Kraft Pulping Conditions
    • Vikkula, A.; Vuorinen, T. The Formation of LC and Other Aromatic End-Group Structures in O-Alkyl-Substituted Cellulose during Kraft Pulping Conditions J. Wood Sci. 2007, 53 (3) 229-233
    • (2007) J. Wood Sci. , vol.53 , Issue.3 , pp. 229-233
    • Vikkula, A.1    Vuorinen, T.2
  • 19
    • 10644250257 scopus 로고
    • Inhomogeneous Electron Gas
    • Hohenberg, P.; Kohn, W. Inhomogeneous Electron Gas Phys. Rev. B 1964, 136, 864
    • (1964) Phys. Rev. B , vol.136 , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 20
    • 36149025273 scopus 로고
    • Quantum Density Oscillations in an Inhomogeneous Electron Gas
    • Kohn, W.; Sham, L. J. Quantum Density Oscillations in an Inhomogeneous Electron Gas Phys. Rev. 1965, 137, 1697
    • (1965) Phys. Rev. , vol.137 , pp. 1697
    • Kohn, W.1    Sham, L.J.2
  • 21
    • 34250817103 scopus 로고
    • A New Mixing of Hartree-Fock and Local Density Functional Theories
    • Becke, A. D. A New Mixing of Hartree-Fock and Local Density Functional Theories J. Chem. Phys. 1993, 98, 1372-1377
    • (1993) J. Chem. Phys. , vol.98 , pp. 1372-1377
    • Becke, A.D.1
  • 22
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
    • Lee, C. T.; Yang, W. T.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785-789
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.T.1    Yang, W.T.2    Parr, R.G.3
  • 23
    • 33751157732 scopus 로고
    • Ab Initio Calculation of Vibrational Absorption and Circular-Dichroism Spectra Using Density Functional Force Fields
    • Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. Ab Initio Calculation of Vibrational Absorption and Circular-Dichroism Spectra Using Density Functional Force Fields J. Phys. Chem. 1994, 98, 11623-11627
    • (1994) J. Phys. Chem. , vol.98 , pp. 11623-11627
    • Stephens, P.J.1    Devlin, F.J.2    Chabalowski, C.F.3    Frisch, M.J.4
  • 24
    • 0000216001 scopus 로고
    • Accurate Spin-Dependent Electron Liquid Correlation Energies for Local Spin-Density Calculationsî-̧A Critical Analysis
    • Vosko, S. H.; Wilk, L.; Nusair, M. Accurate Spin-Dependent Electron Liquid Correlation Energies for Local Spin-Density Calculationsî-̧A Critical Analysis Can. J. Phys. 1980, 58, 1200-1211
    • (1980) Can. J. Phys. , vol.58 , pp. 1200-1211
    • Vosko, S.H.1    Wilk, L.2    Nusair, M.3
  • 25
    • 77749237162 scopus 로고    scopus 로고
    • Lignin Biosynthesis Studies in Plant Tissue Cultures
    • KärkoÌnen, A.; Koutaniemi, S. Lignin Biosynthesis Studies in Plant Tissue Cultures J Integr. Plant Biol. 2010, 52, 176-185
    • (2010) J Integr. Plant Biol. , vol.52 , pp. 176-185
    • Kärkoìnen, A.1    Koutaniemi, S.2
  • 28
  • 29
    • 36649020243 scopus 로고    scopus 로고
    • An evaluation of harmonic vibrational frequenciy scale factors
    • Merrick, J. P.; Moran, D.; Radom, L. An evaluation of harmonic vibrational frequenciy scale factors J. Phys. Chem. A 2007, 111, 11683-11700
    • (2007) J. Phys. Chem. A , vol.111 , pp. 11683-11700
    • Merrick, J.P.1    Moran, D.2    Radom, L.3
  • 30
    • 29544447203 scopus 로고    scopus 로고
    • Ab initio studies on the molecular conformation of lignin model compounds I. Conformational preferences of the phenolic hydroxyl and methoxy groups in guaiacol
    • Agache, C.; Popa, V. I. Ab initio studies on the molecular conformation of lignin model compounds I. Conformational preferences of the phenolic hydroxyl and methoxy groups in guaiacol Monatsh. Chem. 2006, 137, 55-68
    • (2006) Monatsh. Chem. , vol.137 , pp. 55-68
    • Agache, C.1    Popa, V.I.2
  • 31
    • 0842287852 scopus 로고    scopus 로고
    • Gaussian-Based Computations in Molecular Science
    • Jalbout, A. F.; Nazari, F.; Turker, L. Gaussian-Based Computations in Molecular Science J. Mol. Struct. 2004, 671, 1-21
    • (2004) J. Mol. Struct. , vol.671 , pp. 1-21
    • Jalbout, A.F.1    Nazari, F.2    Turker, L.3
  • 32
    • 36849115659 scopus 로고
    • Self-Consistent Molecular-Orbital Methods 0.9. Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
    • Ditchfie, R.; Hehre, W. J.; Pople, J. A. Self-Consistent Molecular-Orbital Methods 0.9. Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules J. Chem. Phys. 1971, 54, 724
    • (1971) J. Chem. Phys. , vol.54 , pp. 724
    • Ditchfie, R.1    Hehre, W.J.2    Pople, J.A.3
  • 33
    • 85022583881 scopus 로고
    • The Isomers of Silacyclopropane
    • Gordon, M. S. The Isomers of Silacyclopropane Chem. Phys. Lett. 1980, 76, 163-168
    • (1980) Chem. Phys. Lett. , vol.76 , pp. 163-168
    • Gordon, M.S.1
  • 34
    • 0000812163 scopus 로고
    • Accuracy of Ah Equilibrium Geometries by Single Determinant Molecular-Orbital Theory
    • Harihara, P. C.; Pople, J. A. Accuracy of Ah Equilibrium Geometries by Single Determinant Molecular-Orbital Theory Mol. Phys. 1974, 27, 209-214
    • (1974) Mol. Phys. , vol.27 , pp. 209-214
    • Harihara, P.C.1    Pople, J.A.2
  • 35
    • 0347170005 scopus 로고
    • Self-Consistent Molecular-Orbital Methods 0.12. Further Extensions of Gaussian-Type Basis Sets for Use in Molecular-Orbital Studies of Organic Molecules
    • Hehre, W. J.; Ditchfie, R.; Pople, J. A. Self-Consistent Molecular-Orbital Methods 0.12. Further Extensions of Gaussian-Type Basis Sets for Use in Molecular-Orbital Studies of Organic Molecules J. Chem. Phys. 1972, 56, 2257
    • (1972) J. Chem. Phys. , vol.56 , pp. 2257
    • Hehre, W.J.1    Ditchfie, R.2    Pople, J.A.3
  • 36
    • 56049122242 scopus 로고    scopus 로고
    • Quantitative Quantum Chemistry
    • Helgaker, T.; Klopper, W.; Tew, D. P. Quantitative Quantum Chemistry Mol. Phys. 2008, 106, 2107-2143
    • (2008) Mol. Phys. , vol.106 , pp. 2107-2143
    • Helgaker, T.1    Klopper, W.2    Tew, D.P.3
  • 37
    • 67649786871 scopus 로고    scopus 로고
    • Evaluation of Recent Scaling Free Methods to Predict Phenol and Phenoxyl Radical Vibrational Propertiesî-̧Guidelines for More Complex Models of Lignin or Protein Moieties
    • Barsberg, S. Evaluation of Recent Scaling Free Methods to Predict Phenol and Phenoxyl Radical Vibrational Propertiesî-̧Guidelines for More Complex Models of Lignin or Protein Moieties Int. J. Quantum Chem. 2009, 109, 1531-1546
    • (2009) Int. J. Quantum Chem. , vol.109 , pp. 1531-1546
    • Barsberg, S.1
  • 38
    • 33745962010 scopus 로고
    • Raman Microprobe Evidence for Lignin Orientation in the Cell Walls of Native Woody Tissue
    • Atalla, R. H.; Agarwal, U. P. Raman Microprobe Evidence for Lignin Orientation in the Cell Walls of Native Woody Tissue Science 1985, 227, 636-638
    • (1985) Science , vol.227 , pp. 636-638
    • Atalla, R.H.1    Agarwal, U.P.2
  • 39
    • 38849096980 scopus 로고    scopus 로고
    • UV Resonance Raman Spectroscopic Study of Photodegradation of Hardwood and Softwood Lignins by UV Laser
    • Pandey, K. K.; Vuorinen, T. UV Resonance Raman Spectroscopic Study of Photodegradation of Hardwood and Softwood Lignins by UV Laser Holzforschung 2008, 62, 183-188
    • (2008) Holzforschung , vol.62 , pp. 183-188
    • Pandey, K.K.1    Vuorinen, T.2
  • 40
    • 0025381372 scopus 로고
    • Polymerization of Dhp and Depolymerization of Dhp-Glucoside by Lignin Oxidizing Enzymes
    • Kondo, R.; Iimori, T.; Imamura, H.; Nishida, T. Polymerization of Dhp and Depolymerization of Dhp-Glucoside by Lignin Oxidizing Enzymes J. Biotechnol. 1990, 13, 181-188
    • (1990) J. Biotechnol. , vol.13 , pp. 181-188
    • Kondo, R.1    Iimori, T.2    Imamura, H.3    Nishida, T.4
  • 41
    • 0030363264 scopus 로고    scopus 로고
    • New Preparations of Lignin Polymer Models under Conditions that Approximate Cell Wall Lignification. II. Structural Characterization of the Models by Thioacidolysis
    • Terashima, N.; Atalla, R. H.; Ralph, S. A.; Landucci, L. L.; Lapierre, C.; Monties, B. New Preparations of Lignin Polymer Models under Conditions that Approximate Cell Wall Lignification. II. Structural Characterization of the Models by Thioacidolysis Holzforschung 1996, 50, 9-14
    • (1996) Holzforschung , vol.50 , pp. 9-14
    • Terashima, N.1    Atalla, R.H.2    Ralph, S.A.3    Landucci, L.L.4    Lapierre, C.5    Monties, B.6
  • 42
    • 16344365089 scopus 로고    scopus 로고
    • Aggregation during Coniferyl Alcohol Polymerization in Pectin Solution: A Biomimetic Approach of the First Steps of Lignification
    • Lairez, D.; Cathala, B.; Monties, B.; Bedos-Belval, F.; Duran, H.; Gorrichon, L. Aggregation During Coniferyl Alcohol Polymerization in Pectin Solution: A Biomimetic Approach of the First Steps of Lignification Biomacromolecules 2005, 6, 763-774
    • (2005) Biomacromolecules , vol.6 , pp. 763-774
    • Lairez, D.1    Cathala, B.2    Monties, B.3    Bedos-Belval, F.4    Duran, H.5    Gorrichon, L.6
  • 43
    • 0001134236 scopus 로고    scopus 로고
    • C-13 NMR Characterization of Guaiacyl, Guaiacyl/Syringyl, and Syringyl Dehydrogenation Polymers
    • Landucci, L. L.; Ralph, S. A.; Hammel, K. E. C-13 NMR Characterization of Guaiacyl, Guaiacyl/Syringyl, and Syringyl Dehydrogenation Polymers Holzforschung 1998, 52, 160-170
    • (1998) Holzforschung , vol.52 , pp. 160-170
    • Landucci, L.L.1    Ralph, S.A.2    Hammel, K.E.3
  • 44
    • 0000721897 scopus 로고
    • Ligninî-̧Its Constitution and Formation from p-Hydroxycinnamyl Alcohols
    • Freudenb, K. Ligninî-̧Its Constitution and Formation from p-Hydroxycinnamyl Alcohols Science 1965, 148, 595
    • (1965) Science , vol.148 , pp. 595
    • Freudenb, K.1
  • 45
    • 0002734006 scopus 로고    scopus 로고
    • An Overview of Raman Spectroscopy as Applied to Lignocellulosic Materials
    • In, TAPPI Press: Atlanta, GA,; p
    • Agarwal, U. P. An Overview of Raman Spectroscopy as Applied to Lignocellulosic Materials. In Advances in Lignocellulosics Characterization, TAPPI Press: Atlanta, GA, 1999; p 201.
    • (1999) Advances in Lignocellulosics Characterization , pp. 201
    • Agarwal, U.P.1
  • 46
    • 38049169359 scopus 로고    scopus 로고
    • Criteria for Determining the Hydrogen-Bond Structures of a Tyrosine Side Chain by Fourier Transform Infrared Spectroscopy: Density Functional Theory Analyses of Model Hydrogen-Bonded Complexes of p-Cresol
    • Takahashi, R.; Noguchi, T. Criteria for Determining the Hydrogen-Bond Structures of a Tyrosine Side Chain by Fourier Transform Infrared Spectroscopy: Density Functional Theory Analyses of Model Hydrogen-Bonded Complexes of p-Cresol J. Phys. Chem. B 2007, 111, 13833-13844
    • (2007) J. Phys. Chem. B , vol.111 , pp. 13833-13844
    • Takahashi, R.1    Noguchi, T.2
  • 47
    • 0001573755 scopus 로고
    • Vibrational Spectra and Normal Coordinate Analysis of p-Cresol and Its Deuterated Analogs
    • Takeuchi, H.; Watanabe, N.; Harada, I. Vibrational Spectra and Normal Coordinate Analysis of p-Cresol and Its Deuterated Analogs Spectrochim. Acta, Part A 1988, 44, 749-761
    • (1988) Spectrochim. Acta, Part A , vol.44 , pp. 749-761
    • Takeuchi, H.1    Watanabe, N.2    Harada, I.3
  • 49
    • 0035957121 scopus 로고    scopus 로고
    • Structural Studies of Viruses by Raman Spectroscopy Part LXXIî-̧Tyrosine Raman Signatures of the Filamentous Virus Ff are Diagnostic of Non-Hydrogen-Bonded Phenoxyls: Demonstration by Raman and Infrared Spectroscopy of p-Cresol Vapor
    • Arp, Z.; Autrey, D.; Laane, J.; Overman, S. A.; Thomas, G. J. Structural Studies of Viruses by Raman Spectroscopy Part LXXIî-̧Tyrosine Raman Signatures of the Filamentous Virus Ff are Diagnostic of Non-Hydrogen-Bonded Phenoxyls: Demonstration by Raman and Infrared Spectroscopy of p-Cresol Vapor Biochemistry 2001, 40, 2522-2529
    • (2001) Biochemistry , vol.40 , pp. 2522-2529
    • Arp, Z.1    Autrey, D.2    Laane, J.3    Overman, S.A.4    Thomas, G.J.5


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