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Volumn 10, Issue 4, 2014, Pages 1554-1562

Origin of the red shift for the lowest singlet π → π* charge-transfer absorption of p-nitroaniline in supercritical CO2

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EID: 84898420366     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct401081e     Document Type: Article
Times cited : (24)

References (53)
  • 1
    • 0029659151 scopus 로고    scopus 로고
    • Supercritical Fluids as Solvents for Chemical and Materials Processing
    • Eckert, C. A.; Knutson, B. L.; Debendetti, P. G. Supercritical Fluids as Solvents for Chemical and Materials Processing Nature 1996, 383, 313-318
    • (1996) Nature , vol.383 , pp. 313-318
    • Eckert, C.A.1    Knutson, B.L.2    Debendetti, P.G.3
  • 2
    • 84862062650 scopus 로고    scopus 로고
    • Development of a Green Extraction Procedure with Super/Subcritical Fluids to Produce Extracts Enriched in Oleuropein from Olive Leaves
    • Xynos, N.; Papaefstathiou, G.; Psychis, M.; Argyropoulou, A.; Aligiannis, N.; Skaltsounis, A.-L. Development of a Green Extraction Procedure with Super/Subcritical Fluids to Produce Extracts Enriched in Oleuropein from Olive Leaves J. Supercrit. Fluids 2012, 67, 89-93
    • (2012) J. Supercrit. Fluids , vol.67 , pp. 89-93
    • Xynos, N.1    Papaefstathiou, G.2    Psychis, M.3    Argyropoulou, A.4    Aligiannis, N.5    Skaltsounis, A.-L.6
  • 3
    • 1642436434 scopus 로고    scopus 로고
    • 2 in Green Chemical Synthesis and Processing
    • 2 in Green Chemical Synthesis and Processing J. Supercrit. Fluids 2004, 28, 121-191
    • (2004) J. Supercrit. Fluids , vol.28 , pp. 121-191
    • Eric, J.1
  • 4
    • 79953318576 scopus 로고    scopus 로고
    • Investigations on the Level Dyeing of Fabrics in Supercritical Carbon Dioxide
    • Long, J. J.; Ma, Y. Q.; Zhao, J. P. Investigations on the Level Dyeing of Fabrics in Supercritical Carbon Dioxide J. Supercrit. Fluids 2011, 57, 80-86
    • (2011) J. Supercrit. Fluids , vol.57 , pp. 80-86
    • Long, J.J.1    Ma, Y.Q.2    Zhao, J.P.3
  • 5
    • 84879092752 scopus 로고    scopus 로고
    • Solubility of p-Nitroaniline in Supercritical Carbon Dioxide with and without Mixed Cosolvents
    • Jin, J. S.; Ning, Y. Y.; Hu, K.; Wu, H.; Zhang, Z. T. Solubility of p-Nitroaniline in Supercritical Carbon Dioxide with and without Mixed Cosolvents J. Chem. Eng. Data 2013, 58, 1464-1469
    • (2013) J. Chem. Eng. Data , vol.58 , pp. 1464-1469
    • Jin, J.S.1    Ning, Y.Y.2    Hu, K.3    Wu, H.4    Zhang, Z.T.5
  • 6
    • 0001044316 scopus 로고
    • An Experimental Investigation of Lewis Acid-Base Interactions of Liquid Carbon-Dioxide Using Fourier-Transform Infrared (FT-IR) Spectroscopy
    • Reilly, J. T.; Bokis, C. P.; Donohue, M. D. An Experimental Investigation of Lewis Acid-Base Interactions of Liquid Carbon-Dioxide Using Fourier-Transform Infrared (FT-IR) Spectroscopy Int. J. Thermophys. 1995, 16, 599-610
    • (1995) Int. J. Thermophys. , vol.16 , pp. 599-610
    • Reilly, J.T.1    Bokis, C.P.2    Donohue, M.D.3
  • 8
    • 0001363160 scopus 로고
    • 6 in Various Solvents; Regularity of Gas Solubilities
    • 6 in Various Solvents; Regularity of Gas Solubilities J. Phys. Chem. 1961, 65, 331-335
    • (1961) J. Phys. Chem. , vol.65 , pp. 331-335
    • Kobatake, Y.1    Hildebrand, J.H.2
  • 12
    • 38749086845 scopus 로고    scopus 로고
    • Lewis Acid-Base Interactions in Weakly Bound Formaldehyde Complexes with CO2, HCN, and FCN: Considerations on the Cooperative H-Bonding Effects
    • Rivelino, R. Lewis Acid-Base Interactions in Weakly Bound Formaldehyde Complexes with CO2, HCN, and FCN: Considerations on the Cooperative H-Bonding Effects J. Phys. Chem. A 2008, 112, 161-165
    • (2008) J. Phys. Chem. A , vol.112 , pp. 161-165
    • Rivelino, R.1
  • 13
    • 84881479540 scopus 로고    scopus 로고
    • Interactions of Carbon Dioxide with Model Organic Molecules: A Comparative Theoretical Study
    • Trung, N. T.; Nguyen, M. T. Interactions of Carbon Dioxide with Model Organic Molecules: A Comparative Theoretical Study Chem. Phys. Lett. 2013, 518, 10-15
    • (2013) Chem. Phys. Lett. , vol.518 , pp. 10-15
    • Trung, N.T.1    Nguyen, M.T.2
  • 15
    • 79955624317 scopus 로고    scopus 로고
    • 2 and Epoxides Combining Infrared Absorption Spectroscopy and Quantum Chemistry Calculations
    • 2 and Epoxides Combining Infrared Absorption Spectroscopy and Quantum Chemistry Calculations Phys. Chem. Chem. Phys. 2011, 13, 9209-9215
    • (2011) Phys. Chem. Chem. Phys. , vol.13 , pp. 9209-9215
    • Foltran, S.1    Méreau, R.2    Tassaing, T.3
  • 16
    • 84878892913 scopus 로고    scopus 로고
    • Assessment of Long-Range Corrected Functionals for the Prediction of Non-Linear Optical Properties of Organic Materials
    • Garza, A. J.; Scuseria, G. E.; Khan, S. B.; Asiri, A. M. Assessment of Long-Range Corrected Functionals for the Prediction of Non-Linear Optical Properties of Organic Materials Chem. Phys. Lett. 2013, 575, 122-125
    • (2013) Chem. Phys. Lett. , vol.575 , pp. 122-125
    • Garza, A.J.1    Scuseria, G.E.2    Khan, S.B.3    Asiri, A.M.4
  • 17
    • 0035827771 scopus 로고    scopus 로고
    • Solvent Effects on Ground and Excited Electronic State Structures of p-Nitroaniline
    • Moran, A. M.; Kelley, A. M. Solvent Effects on Ground and Excited Electronic State Structures of p-Nitroaniline J. Chem. Phys. 2001, 115, 912-924
    • (2001) J. Chem. Phys. , vol.115 , pp. 912-924
    • Moran, A.M.1    Kelley, A.M.2
  • 19
    • 53349128004 scopus 로고    scopus 로고
    • Solvent Effects on the Local Structure of p-Nitroaniline in Supercritical Water and Supercritical Alcohols
    • Tomotsumi, F.; Masahide, T.; Yoshifumi, K. Solvent Effects on the Local Structure of p-Nitroaniline in Supercritical Water and Supercritical Alcohols J. Phys. Chem. A 2008, 112, 5515-5526
    • (2008) J. Phys. Chem. A , vol.112 , pp. 5515-5526
    • Tomotsumi, F.1    Masahide, T.2    Yoshifumi, K.3
  • 20
    • 0041379267 scopus 로고    scopus 로고
    • Solvent Dependence of Solvatochromic Shifts and the First Hyperpolarizability of para-Nitroaniline: A Nonmonotonic Behavior
    • Wang, C.-K.; Wang, Y.-H. Solvent Dependence of Solvatochromic Shifts and the First Hyperpolarizability of para-Nitroaniline: A Nonmonotonic Behavior J. Chem. Phys. 2003, 119, 4409-4412
    • (2003) J. Chem. Phys. , vol.119 , pp. 4409-4412
    • Wang, C.-K.1    Wang, Y.-H.2
  • 21
    • 0001478985 scopus 로고
    • Solvent Effects on the Absorption and Raman Spectra of Aromatic Nitro Compounds. 1. Calculation of Preresonance Raman Intensities
    • Schmid, E. D.; Moschallski, M.; Peticolas, W. L. Solvent Effects on the Absorption and Raman Spectra of Aromatic Nitro Compounds. 1. Calculation of Preresonance Raman Intensities J. Phys. Chem. 1986, 90, 2340-2346
    • (1986) J. Phys. Chem. , vol.90 , pp. 2340-2346
    • Schmid, E.D.1    Moschallski, M.2    Peticolas, W.L.3
  • 22
    • 0037043372 scopus 로고    scopus 로고
    • Vibrational Excitation and Energy Redistribution after Ultrafast Internal Conversion in 4-Nitroaniline
    • Kozich, V.; Werncke, W.; Dreyer, J.; Brzezinka, K.-W.; Rini, M.; Kummrow, A.; Elsaesser, T. Vibrational Excitation and Energy Redistribution after Ultrafast Internal Conversion in 4-Nitroaniline J. Chem. Phys. 2002, 117, 719-725
    • (2002) J. Chem. Phys. , vol.117 , pp. 719-725
    • Kozich, V.1    Werncke, W.2    Dreyer, J.3    Brzezinka, K.-W.4    Rini, M.5    Kummrow, A.6    Elsaesser, T.7
  • 23
    • 37549062152 scopus 로고    scopus 로고
    • Tuning Intramolecular Anharmonic Vibrational Coupling in 4-Nitroaniline by Solvent-Solute Interaction
    • Dreyer, J.; Kozich, V.; Werncke, W. Tuning Intramolecular Anharmonic Vibrational Coupling in 4-Nitroaniline by Solvent-Solute Interaction J. Chem. Phys. 2007, 127, 234505
    • (2007) J. Chem. Phys. , vol.127 , pp. 234505
    • Dreyer, J.1    Kozich, V.2    Werncke, W.3
  • 24
    • 80052309967 scopus 로고    scopus 로고
    • Solvent-Induced Shift of the Lowest Singlet π→π* Charge-Transfer Excited State of p-Nitroaniline in Water: An Application of the TDDFT/EFP1Method
    • Sok, S.; Willow, S. Y.; Zahariev, F.; Gordon, M. S. Solvent-Induced Shift of the Lowest Singlet π→π* Charge-Transfer Excited State of p-Nitroaniline in Water: An Application of the TDDFT/EFP1Method J. Phys. Chem. A 2011, 115, 9801-9809
    • (2011) J. Phys. Chem. A , vol.115 , pp. 9801-9809
    • Sok, S.1    Willow, S.Y.2    Zahariev, F.3    Gordon, M.S.4
  • 25
    • 79851480219 scopus 로고    scopus 로고
    • Solvent Effects on the Electronic Transitions of p-Nitroaniline: A QM/EFP Study
    • Dmytro Kosenkov, D.; Slipchenko, L. V. Solvent Effects on the Electronic Transitions of p-Nitroaniline: A QM/EFP Study J. Phys. Chem. A 2011, 115, 392-401
    • (2011) J. Phys. Chem. A , vol.115 , pp. 392-401
    • Dmytro Kosenkov, D.1    Slipchenko, L.V.2
  • 26
    • 84882456298 scopus 로고    scopus 로고
    • Failures of TDDFT in Describing the Lowest Intramolecular Charge-Transfer Excitation in para-Nitroaniline
    • Eriksen, J. J.; Sauer, S. P. A.; Mikkelsen, K. V.; Christiansen, O.; Jensen, H. J. A.; Kongsted, J. Failures of TDDFT in Describing the Lowest Intramolecular Charge-Transfer Excitation in para-Nitroaniline Mol. Phys. 2013, 111, 1235-1248
    • (2013) Mol. Phys. , vol.111 , pp. 1235-1248
    • Eriksen, J.J.1    Sauer, S.P.A.2    Mikkelsen, K.V.3    Christiansen, O.4    Jensen, H.J.A.5    Kongsted, J.6
  • 27
    • 84961985749 scopus 로고    scopus 로고
    • Theoretical Study of the Preferential Solvation Effect on the Solvatochromic Shifts of para-Nitroaniline
    • Frutos-Puerto, A.; Aguilar, M. A.; Galván, I. F. Theoretical Study of the Preferential Solvation Effect on the Solvatochromic Shifts of para-Nitroaniline J. Phys. Chem. B 2013, 117, 2466-2474
    • (2013) J. Phys. Chem. B , vol.117 , pp. 2466-2474
    • Frutos-Puerto, A.1    Aguilar, M.A.2    Galván, I.F.3
  • 28
    • 0001005256 scopus 로고
    • Supercritical Carbon Dioxide: Behavior of π* and β Solvatochromic Indicator in Media of Different Densities
    • Sigman, M. E.; Lindley, S. M.; Leffler, J. E. Supercritical Carbon Dioxide: Behavior of π* and β Solvatochromic Indicator in Media of Different Densities J. Am. Chem. Soc. 1985, 107, 1471-1472
    • (1985) J. Am. Chem. Soc. , vol.107 , pp. 1471-1472
    • Sigman, M.E.1    Lindley, S.M.2    Leffler, J.E.3
  • 31
    • 77953818390 scopus 로고    scopus 로고
    • Hydrogen Bond Interactions between Acetone and Supercritical Water
    • Fonseca, T. L.; Coutinho, K.; Canuto, S. Hydrogen Bond Interactions Between Acetone and Supercritical Water Phys. Chem. Chem. Phys. 2010, 12, 6660-6665
    • (2010) Phys. Chem. Chem. Phys. , vol.12 , pp. 6660-6665
    • Fonseca, T.L.1    Coutinho, K.2    Canuto, S.3
  • 32
    • 84878013993 scopus 로고    scopus 로고
    • A Theoretical Study of the Spectral Shifts of Xe Atom in Ar Environment
    • Hidalgo, M.; Canuto, S. A Theoretical Study of the Spectral Shifts of Xe Atom in Ar Environment Phys. Lett. A 2013, 377, 1720-1724
    • (2013) Phys. Lett. A , vol.377 , pp. 1720-1724
    • Hidalgo, M.1    Canuto, S.2
  • 33
    • 67650320601 scopus 로고    scopus 로고
    • Optical Response of Liquid Acetonitrile at Ambient Conditions: The Dynamical Dielectric Behavior from Ab Initio Calculations
    • Mota, F.; de, B.; Rivelino, R. Optical Response of Liquid Acetonitrile at Ambient Conditions: The Dynamical Dielectric Behavior from Ab Initio Calculations J. Phys. Chem. B 2009, 113, 9489-9492
    • (2009) J. Phys. Chem. B , vol.113 , pp. 9489-9492
    • Mota, F.1    De, B.2    Rivelino, R.3
  • 34
    • 0037191875 scopus 로고    scopus 로고
    • A Monte Carlo-Quantum Mechanics Study of the Solvent-Induced Spectral Shift and the Specific Role of Hydrogen Bonds in the Conformational Equilibrium of Furfural in Water
    • Rivelino, R.; Coutinho, K.; Canuto, S. A Monte Carlo-Quantum Mechanics Study of the Solvent-Induced Spectral Shift and the Specific Role of Hydrogen Bonds in the Conformational Equilibrium of Furfural in Water J. Phys. Chem. B 2002, 106, 12317-12322
    • (2002) J. Phys. Chem. B , vol.106 , pp. 12317-12322
    • Rivelino, R.1    Coutinho, K.2    Canuto, S.3
  • 35
    • 84878376315 scopus 로고    scopus 로고
    • Solvent Effect on the Stokes Shift and on the Nonfluorescent Decay of the Daidzein Molecular System
    • Orozco-Gonzalez, Y.; Bistafa, C.; Canuto, S. Solvent Effect on the Stokes Shift and on the Nonfluorescent Decay of the Daidzein Molecular System J. Phys. Chem. A 2013, 117, 4404-4411
    • (2013) J. Phys. Chem. A , vol.117 , pp. 4404-4411
    • Orozco-Gonzalez, Y.1    Bistafa, C.2    Canuto, S.3
  • 38
    • 4143095330 scopus 로고
    • Electron Affinities of the First-Row Atoms Revisited. Systematic Basis Sets and Wave Functions
    • Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. Electron Affinities of the First-Row Atoms Revisited. Systematic Basis Sets and Wave Functions J. Chem. Phys. 1992, 96, 6796-6806
    • (1992) J. Chem. Phys. , vol.96 , pp. 6796-6806
    • Kendall, R.A.1    Dunning Jr., T.H.2    Harrison, R.J.3
  • 43
    • 0012597289 scopus 로고
    • Density-Functional Theory for Time-Dependent Systems
    • Runge, E.; Gross, E. K. U. Density-Functional Theory for Time-Dependent Systems Phys. Rev. Lett. 1984, 52, 997-1000
    • (1984) Phys. Rev. Lett. , vol.52 , pp. 997-1000
    • Runge, E.1    Gross, E.K.U.2
  • 46
    • 34547647945 scopus 로고    scopus 로고
    • Geometries and Properties of Excited States in the Gas Phase and in Solution: Theory and Application of a Time-Dependent Density Functional Theory Polarizable Continuum Model
    • Scalmania, G.; Frisch, M. J.; Mennucci, B.; Tomasi, J.; Cammi, R.; Barone, V. Geometries and Properties of Excited States in the Gas Phase and in Solution: Theory and Application of a Time-Dependent Density Functional Theory Polarizable Continuum Model J. Chem. Phys. 2006, 124, 094107
    • (2006) J. Chem. Phys. , vol.124 , pp. 094107
    • Scalmania, G.1    Frisch, M.J.2    Mennucci, B.3    Tomasi, J.4    Cammi, R.5    Barone, V.6
  • 47
    • 0000607046 scopus 로고    scopus 로고
    • Measuring the Static Dielectric Constants of Pure Carbon Dioxide and Carbon Dioxide Mixed with Ethanol and Toluene at Elevated Pressures
    • Wesch, A.; Dahmen, N.; Ebert, K. H. Measuring the Static Dielectric Constants of Pure Carbon Dioxide and Carbon Dioxide Mixed with Ethanol and Toluene at Elevated Pressures Ber. Bunsen Phys. Chem. 1996, 100, 1368-1371
    • (1996) Ber. Bunsen Phys. Chem. , vol.100 , pp. 1368-1371
    • Wesch, A.1    Dahmen, N.2    Ebert, K.H.3
  • 48
    • 21344437720 scopus 로고    scopus 로고
    • An Optimized Molecular Potential for Carbon Dioxide
    • Zhang, Z.; Duan, Z. An Optimized Molecular Potential for Carbon Dioxide J. Chem. Phys. 2005, 122, 214507
    • (2005) J. Chem. Phys. , vol.122 , pp. 214507
    • Zhang, Z.1    Duan, Z.2
  • 49
    • 0000654002 scopus 로고
    • On the Ground and Excited State Dipole Moments of Planar vs. Twisted Nitroaniline Analogues
    • Sinha, H. K.; Yates, K. On the Ground and Excited State Dipole Moments of Planar vs. Twisted Nitroaniline Analogues Can. J. Chem. 1991, 69, 550-557
    • (1991) Can. J. Chem. , vol.69 , pp. 550-557
    • Sinha, H.K.1    Yates, K.2
  • 50
    • 0037460284 scopus 로고    scopus 로고
    • Ultrafast Excitation of out-of-plane Vibrations and Vibrational Energy Redistribution after Internal Conversion of 4-Nitroaniline
    • Kozich, V.; Werncke, W.; Vodchits, A. I.; Dreyer, J. Ultrafast Excitation of out-of-plane Vibrations and Vibrational Energy Redistribution after Internal Conversion of 4-Nitroaniline J. Chem. Phys. 2003, 118, 1808-1814
    • (2003) J. Chem. Phys. , vol.118 , pp. 1808-1814
    • Kozich, V.1    Werncke, W.2    Vodchits, A.I.3    Dreyer, J.4
  • 51
    • 37549062152 scopus 로고    scopus 로고
    • Tuning Intramolecular Anharmonic Vibrational Coupling in 4-Nitroaniline by Solvent-Solute Interaction
    • Dreyer, J.; Kozich, V.; Werncke, W. Tuning Intramolecular Anharmonic Vibrational Coupling in 4-Nitroaniline by Solvent-Solute Interaction J. Chem. Phys. 2007, 127, 234505
    • (2007) J. Chem. Phys. , vol.127 , pp. 234505
    • Dreyer, J.1    Kozich, V.2    Werncke, W.3
  • 52
    • 0037077673 scopus 로고    scopus 로고
    • On the Physical Origin of Blue-Shifted Hydrogen Bonds
    • Li, X.; Liu, L.; Schlegel, H. B. On the Physical Origin of Blue-Shifted Hydrogen Bonds J. Am. Chem. Soc. 2002, 124, 9639-9647
    • (2002) J. Am. Chem. Soc. , vol.124 , pp. 9639-9647
    • Li, X.1    Liu, L.2    Schlegel, H.B.3
  • 53
    • 84863118273 scopus 로고    scopus 로고
    • Is Our Way of Thinking about Excited States Correct? Time-Resolved Dispersive IR Study on p-Nitroaniline
    • Narra, S.; Chang, S.-W.; Witek, H. A.; Shigeto, S. Is Our Way of Thinking about Excited States Correct? Time-Resolved Dispersive IR Study on p-Nitroaniline Chem. - Eur. J. 2012, 18, 2543-2550 Nível Superior
    • (2012) Chem. - Eur. J. , vol.18 , pp. 2543-2550
    • Narra, S.1    Chang, S.-W.2    Witek, H.A.3    Shigeto, S.4


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