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Volumn 3, Issue 1, 2012, Pages 97-101

A VUV photoionization and ab initio determination of the ionization energy of a gas-phase sugar (deoxyribose)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO MOLECULAR DYNAMICS; ADIABATIC IONIZATION ENERGIES; APPEARANCE ENERGY; DISSOCIATIVE PHOTOIONIZATION; FRAGMENTATION PATTERNS; GASPHASE; NEUTRAL WATER; PYRANOSE; REACTION COORDINATES; THEORETICAL VALUES; THERMAL SOURCE; VACUUM ULTRAVIOLET SYNCHROTRON RADIATION; VERTICAL IONIZATION ENERGY; VUV PHOTOIONIZATION;

EID: 84855441153     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz201446r     Document Type: Article
Times cited : (42)

References (35)
  • 1
    • 0037173839 scopus 로고    scopus 로고
    • An experimental and computational study of the gas-phase structures of five-carbon monosaccharides
    • DOI 10.1021/jp025577c
    • Guler, L. P.; Yu, Y. Q.; Kenttamaa, H. I. An Experimental and Computational Study of the Gas-Phase Structures of Five-Carbon Monosaccharides J. Phys. Chem. A 2002, 106, 6754-6764 (Pubitemid 35382648)
    • (2002) Journal of Physical Chemistry A , vol.106 , Issue.29 , pp. 6754-6764
    • Guler, L.P.1    Yu, Y.-Q.2    Kenttamaa, H.I.3
  • 4
    • 2542464082 scopus 로고    scopus 로고
    • Inelastic Electron Interaction (Attachment/Ionization) with Deoxyribose
    • Ptasinska, S.; Denifl, S.; Scheier, P.; Mark, T. D. Inelastic Electron Interaction (Attachment/Ionization) with Deoxyribose J. Chem. Phys. 2004, 120, 8505-8511
    • (2004) J. Chem. Phys. , vol.120 , pp. 8505-8511
    • Ptasinska, S.1    Denifl, S.2    Scheier, P.3    Mark, T.D.4
  • 7
    • 0000850661 scopus 로고
    • Ab Initio Molecular Orbital Calculations on DNA Radical Ions 0.3. Ionization Potentials and Ionization Sites in Components of the DNA Sugar Phosphate Backbone
    • Colson, A. O.; Besler, B.; Sevilla, M. D. Ab Initio Molecular Orbital Calculations on DNA Radical Ions 0.3. Ionization Potentials and Ionization Sites in Components of the DNA Sugar Phosphate Backbone J. Phys. Chem. 1993, 97, 8092-8097
    • (1993) J. Phys. Chem. , vol.97 , pp. 8092-8097
    • Colson, A.O.1    Besler, B.2    Sevilla, M.D.3
  • 8
    • 70149096617 scopus 로고    scopus 로고
    • Ionization Energies of Aqueous Nucleic Acids: Photoelectron Spectroscopy of Pyrimidine Nucleosides and ab Initio Calculations
    • Slavicek, P.; Winter, B.; Faubel, M.; Bradforth, S. E.; Jungwirth, P. Ionization Energies of Aqueous Nucleic Acids: Photoelectron Spectroscopy of Pyrimidine Nucleosides and ab Initio Calculations J. Am. Chem. Soc. 2009, 131, 6460-6467
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 6460-6467
    • Slavicek, P.1    Winter, B.2    Faubel, M.3    Bradforth, S.E.4    Jungwirth, P.5
  • 9
    • 65449151937 scopus 로고    scopus 로고
    • Threshold Photoelectron Spectra of Tetrahydrofuran over the Energy Range 9-29 eV
    • Dampc, M.; Mielewska, B.; Siggel-King, M. R. F.; King, G. C.; Zubek, M. Threshold Photoelectron Spectra of Tetrahydrofuran over the Energy Range 9-29 eV Chem. Phys. 2009, 359, 77-81
    • (2009) Chem. Phys. , vol.359 , pp. 77-81
    • Dampc, M.1    Mielewska, B.2    Siggel-King, M.R.F.3    King, G.C.4    Zubek, M.5
  • 11
    • 47549113642 scopus 로고    scopus 로고
    • Metastable Anion Fragmentations after Resonant Attachment: Deoxyribosic Structures from Quantum Electron Dynamics
    • Baccarelli, I.; Gianturco, F. A.; Grandi, A.; Sanna, N. Metastable Anion Fragmentations after Resonant Attachment: Deoxyribosic Structures from Quantum Electron Dynamics Int. J. Quantum Chem. 2008, 108, 1878-1887
    • (2008) Int. J. Quantum Chem. , vol.108 , pp. 1878-1887
    • Baccarelli, I.1    Gianturco, F.A.2    Grandi, A.3    Sanna, N.4
  • 14
    • 33749834322 scopus 로고    scopus 로고
    • Synthesis of transportation fuels from biomass: Chemistry, catalysts, and engineering
    • DOI 10.1021/cr068360d
    • Huber, G. W.; Iborra, S.; Corma, A. Synthesis of Transportation Fuels from Biomass: Chemistry, Catalysts, and Engineering Chem. Rev. 2006, 106, 4044-4098 (Pubitemid 44560464)
    • (2006) Chemical Reviews , vol.106 , Issue.9 , pp. 4044-4098
    • Huber, G.W.1    Iborra, S.2    Corma, A.3
  • 16
    • 70349286421 scopus 로고    scopus 로고
    • Current Technologies for Analysis of Biomass Thermochemical Processing: A Review
    • Bahng, M. K.; Mukarakate, C.; Robichaud, D. J.; Nimlos, M. R. Current Technologies for Analysis of Biomass Thermochemical Processing: A Review Anal. Chim. Acta 2009, 651, 117-138
    • (2009) Anal. Chim. Acta , vol.651 , pp. 117-138
    • Bahng, M.K.1    Mukarakate, C.2    Robichaud, D.J.3    Nimlos, M.R.4
  • 17
    • 80155143079 scopus 로고    scopus 로고
    • Desorption Dynamics, Internal Energies, and Imaging of Organic Molecules from Surfaces with Laser Desorption and Vacuum Ultraviolet (VUV) Photoionization
    • Kostko, O.; Takahashi, L. K.; Ahmed, M. Desorption Dynamics, Internal Energies, and Imaging of Organic Molecules from Surfaces with Laser Desorption and Vacuum Ultraviolet (VUV) Photoionization Chem. Asian J. 2011, 6, 3066-3076
    • (2011) Chem. Asian J. , vol.6 , pp. 3066-3076
    • Kostko, O.1    Takahashi, L.K.2    Ahmed, M.3
  • 18
    • 77951847229 scopus 로고    scopus 로고
    • Internal Energies of Ion-Sputtered Neutral Tryptophan and Thymine Molecules Determined by Vacuum Ultraviolet Photoionization
    • Zhou, J.; Takahashi, L. K.; Wilson, K. R.; Leone, S. R.; Ahmed, M. Internal Energies of Ion-Sputtered Neutral Tryptophan and Thymine Molecules Determined by Vacuum Ultraviolet Photoionization Anal. Chem. 2010, 82, 3905-3913
    • (2010) Anal. Chem. , vol.82 , pp. 3905-3913
    • Zhou, J.1    Takahashi, L.K.2    Wilson, K.R.3    Leone, S.R.4    Ahmed, M.5
  • 19
    • 79954621290 scopus 로고    scopus 로고
    • Vacuum-Ultraviolet Photoionization and Mass Spectrometric Characterization of Lignin Monomers Coniferyl and Sinapyl Alcohols
    • Takahashi, L. K.; Zhou, J.; Kostko, O.; Golan, A.; Leone, S. R.; Ahmed, M. Vacuum-Ultraviolet Photoionization and Mass Spectrometric Characterization of Lignin Monomers Coniferyl and Sinapyl Alcohols J. Phys. Chem. A 2011, 115, 3279-3290
    • (2011) J. Phys. Chem. A , vol.115 , pp. 3279-3290
    • Takahashi, L.K.1    Zhou, J.2    Kostko, O.3    Golan, A.4    Leone, S.R.5    Ahmed, M.6
  • 20
    • 55849117399 scopus 로고    scopus 로고
    • Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections
    • Chai, J. D.; Head-Gordon, M. Long-Range Corrected Hybrid Density Functionals with Damped Atom-Atom Dispersion Corrections Phys. Chem. Chem. Phys. 2008, 10, 6615-6620
    • (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 6615-6620
    • Chai, J.D.1    Head-Gordon, M.2
  • 22
    • 79959562988 scopus 로고    scopus 로고
    • Effect of Solvation on the Vertical Ionization Energy of Thymine: From Microhydration to Bulk
    • Ghosh, D.; Isayev, O.; Slipchenko, L. V.; Krylov, A. I. Effect of Solvation on the Vertical Ionization Energy of Thymine: From Microhydration to Bulk J. Phys. Chem. A 2011, 115, 6028-6038
    • (2011) J. Phys. Chem. A , vol.115 , pp. 6028-6038
    • Ghosh, D.1    Isayev, O.2    Slipchenko, L.V.3    Krylov, A.I.4
  • 24
    • 78649617504 scopus 로고    scopus 로고
    • Electronic Structure and Spectroscopy of Nucleic Acid Bases: Ionization Energies, Ionization-Induced Structural Changes, and Photoelectron Spectra
    • Bravaya, K. B.; Kostko, O.; Dolgikh, S.; Landau, A.; Ahmed, M.; Krylov, A. I. Electronic Structure and Spectroscopy of Nucleic Acid Bases: Ionization Energies, Ionization-Induced Structural Changes, and Photoelectron Spectra J. Phys. Chem. A 2010, 114, 12305-12317
    • (2010) J. Phys. Chem. A , vol.114 , pp. 12305-12317
    • Bravaya, K.B.1    Kostko, O.2    Dolgikh, S.3    Landau, A.4    Ahmed, M.5    Krylov, A.I.6
  • 26
    • 33746614482 scopus 로고
    • Gaussian-Basis Sets for Use in Correlated Molecular Calculations 0.1. The Atoms Boron through Neon and Hydrogen
    • Dunning, T. H. Gaussian-Basis Sets for Use in Correlated Molecular Calculations 0.1. The Atoms Boron through Neon and Hydrogen J. Chem. Phys. 1989, 90, 1007-1023
    • (1989) J. Chem. Phys. , vol.90 , pp. 1007-1023
    • Dunning, T.H.1
  • 27
    • 0040344696 scopus 로고
    • A Note on the Direct Calculation of Excitation-Energies by Quasi-Degenerate MBPT and Coupled-ClusterTheory
    • Sinha, D.; Mukhopadhyay, S.; Mukherjee, D. A Note on the Direct Calculation of Excitation-Energies by Quasi-Degenerate MBPT and Coupled-ClusterTheory Chem. Phys. Lett. 1986, 129, 369-374
    • (1986) Chem. Phys. Lett. , vol.129 , pp. 369-374
    • Sinha, D.1    Mukhopadhyay, S.2    Mukherjee, D.3
  • 28
    • 0000094026 scopus 로고
    • Multireference Coupled-Cluster Methods Using an Incomplete Model Space - Application to Ionization-Potentials and Excitation-Energies of Formaldehyde
    • Pal, S.; Rittby, M.; Bartlett, R. J.; Sinha, D.; Mukherjee, D. Multireference Coupled-Cluster Methods Using an Incomplete Model Space-Application to Ionization-Potentials and Excitation-Energies of Formaldehyde Chem. Phys. Lett. 1987, 137, 273-278
    • (1987) Chem. Phys. Lett. , vol.137 , pp. 273-278
    • Pal, S.1    Rittby, M.2    Bartlett, R.J.3    Sinha, D.4    Mukherjee, D.5
  • 29
    • 36448999561 scopus 로고
    • Analytic Energy Derivatives for Ionized States Described by the Equation-of-Motion Coupled-Cluster Method
    • Stanton, J. F.; Gauss, J. Analytic Energy Derivatives for Ionized States Described by the Equation-of-Motion Coupled-Cluster Method J. Chem. Phys. 1994, 101, 8938-8944
    • (1994) J. Chem. Phys. , vol.101 , pp. 8938-8944
    • Stanton, J.F.1    Gauss, J.2
  • 30
    • 50249115112 scopus 로고    scopus 로고
    • Charge Localization and Jahn-Teller Distortions in the Benzene Dimer Cation
    • Pieniazek, P. A.; Bradforth, S. E.; Krylov, A. I. Charge Localization and Jahn-Teller Distortions in the Benzene Dimer Cation J. Chem. Phys. 2008, 129, 074104-074111
    • (2008) J. Chem. Phys. , vol.129 , pp. 074104-074111
    • Pieniazek, P.A.1    Bradforth, S.E.2    Krylov, A.I.3
  • 31
    • 37549014315 scopus 로고    scopus 로고
    • Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: The Hitchhiker's guide to fock space
    • DOI 10.1146/annurev.physchem.59.032607.093602
    • Krylov, A. I. Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space Annu. Rev. Phys. Chem. 2008, 59, 433-462 (Pubitemid 351703394)
    • (2008) Annual Review of Physical Chemistry , vol.59 , pp. 433-462
    • Krylov, A.I.1
  • 32
    • 36049042222 scopus 로고    scopus 로고
    • Benchmark Full Configuration Interaction and Equation-of-Motion Coupled-Cluster Model with Single and Double Substitutions for Ionized Systems Results for Prototypical Charge Transfer Systems: Noncovalent Ionized Dimers
    • Pieniazek, P. A.; Arnstein, S. A.; Bradforth, S. E.; Krylov, A. I.; Sherrill, C. D. Benchmark Full Configuration Interaction and Equation-of-Motion Coupled-Cluster Model with Single and Double Substitutions for Ionized Systems Results for Prototypical Charge Transfer Systems: Noncovalent Ionized Dimers J. Chem. Phys. 2007, 127, 164110-164119
    • (2007) J. Chem. Phys. , vol.127 , pp. 164110-164119
    • Pieniazek, P.A.1    Arnstein, S.A.2    Bradforth, S.E.3    Krylov, A.I.4    Sherrill, C.D.5
  • 33
    • 4243553426 scopus 로고
    • Density-Functional Exchange-Energy Approximation with Correct Asymtopic-Behavior
    • Becke, A. D. Density-Functional Exchange-Energy Approximation with Correct Asymtopic-Behavior Phys. Rev. A 1988, 38, 3098-3100
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 34
    • 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


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