메뉴 건너뛰기




Volumn 117, Issue 4, 2013, Pages 1754-1760

Theoretical study on structure and sum-frequency generation (SFG) spectroscopy of styrene-graphene adsorption system

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION SYSTEM; GEOMETRIC OPTIMIZATION; GRAPHENE SHEETS; ORIENTATION DISTRIBUTIONS; PHENYL RINGS; PHENYL UNITS; POLARIZABILITIES; SUM-FREQUENCY GENERATION SPECTROSCOPY; SURFACE NORMALS; THEORETICAL STUDY; TILT ANGLE;

EID: 84874403569     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3102767     Document Type: Article
Times cited : (12)

References (24)
  • 1
    • 34948863621 scopus 로고    scopus 로고
    • Molecular Theory of Sum-Frequency Generations and Its Applications to Study Molecular Chirality
    • Lin, S. H. Villaeys, A. A. Fujimura, Y. Eds; World Scientific: Singapore
    • Hayashi, M.; Lin, S. H. Molecular Theory of Sum-Frequency Generations and Its Applications to Study Molecular Chirality. In Advances in Multi-Photon Processes and Spectroscopy; Lin, S. H., Villaeys, A. A., Fujimura, Y., Eds; World Scientific: Singapore, 2004; Vol. 16, pp 307-422.
    • (2004) Advances in Multi-Photon Processes and Spectroscopy , vol.16 , pp. 307-422
    • Hayashi, M.1    Lin, S.H.2
  • 2
    • 0037104436 scopus 로고    scopus 로고
    • Sum-Frequency Spectroscopic Studies of Ice Interfaces
    • Wei, X.; Miranda, P. B.; Zhang, C.; Shen, Y. R. Sum-Frequency Spectroscopic Studies of Ice Interfaces Phys. Rev. B 2002, 66, 085401
    • (2002) Phys. Rev. B , vol.66 , pp. 085401
    • Wei, X.1    Miranda, P.B.2    Zhang, C.3    Shen, Y.R.4
  • 3
    • 1642327373 scopus 로고    scopus 로고
    • A Unified Treatment of Selection Rules and Symmetry Relations for Sum-Frequency and Second Harmonic Spectroscopies
    • Moad, A. J.; Simpson, G. J. A Unified Treatment of Selection Rules and Symmetry Relations for Sum-Frequency and Second Harmonic Spectroscopies J. Phys. Chem. B 2004, 108, 3548-3562
    • (2004) J. Phys. Chem. B , vol.108 , pp. 3548-3562
    • Moad, A.J.1    Simpson, G.J.2
  • 4
    • 27544444912 scopus 로고    scopus 로고
    • Non-Linear Optical Spectroscopy as a Novel Probe for Molecular Chirality
    • Belkin, M. A.; Shen, Y. R. Non-Linear Optical Spectroscopy as a Novel Probe for Molecular Chirality Intl. Rev. Phys. Chem 2005, 24, 257-299
    • (2005) Intl. Rev. Phys. Chem , vol.24 , pp. 257-299
    • Belkin, M.A.1    Shen, Y.R.2
  • 5
    • 4243831461 scopus 로고
    • Vibrational Spectroscopy of Water at the Vapor/Water Interface
    • Du, Q.; Superfine, R.; Freysz, E.; Shen, Y. R. Vibrational Spectroscopy of Water at the Vapor/Water Interface Phys. Rev. Lett. 1993, 70, 2313-2316
    • (1993) Phys. Rev. Lett. , vol.70 , pp. 2313-2316
    • Du, Q.1    Superfine, R.2    Freysz, E.3    Shen, Y.R.4
  • 6
    • 33646392509 scopus 로고    scopus 로고
    • Sum-Frequency Vibrational Spectroscopy on Water Interfaces: Polar Orientation of Water Molecules at Interfaces
    • Shen, Y. R.; Ostroverkhov, V. Sum-Frequency Vibrational Spectroscopy on Water Interfaces: Polar Orientation of Water Molecules at Interfaces Chem. Rev. 2006, 106, 1140-1154
    • (2006) Chem. Rev. , vol.106 , pp. 1140-1154
    • Shen, Y.R.1    Ostroverkhov, V.2
  • 7
    • 68049109538 scopus 로고    scopus 로고
    • Isotopic Dilution Study of the Water/Vapor Interface by Phase-Sensitive Sum-Frequency Vibrational Spectroscopy
    • Tian, C.-S.; Shen, Y. R. Isotopic Dilution Study of the Water/Vapor Interface by Phase-Sensitive Sum-Frequency Vibrational Spectroscopy J. Am. Chem. Soc. 2009, 131, 2790-2791
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 2790-2791
    • Tian, C.-S.1    Shen, Y.R.2
  • 9
    • 0037066879 scopus 로고    scopus 로고
    • Absolute Molecular Orientational Distribution of the Polystyrene Surface
    • Briggman, K. A.; Stephenson, J. C.; Wallace, W. E.; Richter, L. J. Absolute Molecular Orientational Distribution of the Polystyrene Surface J. Phys. Chem. B 2001, 105, 2785-2791
    • (2001) J. Phys. Chem. B , vol.105 , pp. 2785-2791
    • Briggman, K.A.1    Stephenson, J.C.2    Wallace, W.E.3    Richter, L.J.4
  • 10
    • 0037133470 scopus 로고    scopus 로고
    • Surface Morphology and Molecular Chemical Structure of Poly(n -butyl methacrylate)/Polystyrene Blend Studied by Atomic Force Microscopy (AFM) and Sum-Frequency Generation (SFG) Vibrational Spectroscopy
    • Chen, C.; Wang, J.; Woodcock, S. E.; Chen, Z. Surface Morphology and Molecular Chemical Structure of Poly(n -butyl methacrylate)/Polystyrene Blend Studied by Atomic Force Microscopy (AFM) and Sum-Frequency Generation (SFG) Vibrational Spectroscopy Langmuir 2002, 18, 1302-1309
    • (2002) Langmuir , vol.18 , pp. 1302-1309
    • Chen, C.1    Wang, J.2    Woodcock, S.E.3    Chen, Z.4
  • 11
    • 68949161007 scopus 로고    scopus 로고
    • Theoretical Simulation of Vibrational Sum-Frequency Generation Spectra from Density Functional Theory: Application to p -Nitrothiophenol and 2,4-Dinitroaniline
    • Guthmuller, J.; Cecchet, F.; Lis, D.; Caudano, Y.; Mani, A. A.; Thiry, P. A.; Peremans, A. Champagne, B. Theoretical Simulation of Vibrational Sum-Frequency Generation Spectra from Density Functional Theory: Application to p -Nitrothiophenol and 2,4-Dinitroaniline ChemPhysChem 2009, 10, 2132-2142
    • (2009) ChemPhysChem , vol.10 , pp. 2132-2142
    • Guthmuller, J.1    Cecchet, F.2    Lis, D.3    Caudano, Y.4    Mani, A.A.5    Thiry, P.A.6    Peremans, A.7    Champagne, B.8
  • 12
    • 27744593567 scopus 로고    scopus 로고
    • Electronic and Vibrational Second-Order Nonlinear Optical Properties of Protein Secondary Structural Motifs
    • Perry, J. M.; Moad, A. J.; Begue, N. J.; Wampler, R. D.; Simpson, G. J. Electronic and Vibrational Second-Order Nonlinear Optical Properties of Protein Secondary Structural Motifs J. Phys. Chem. B 2005, 109, 20009-20026
    • (2005) J. Phys. Chem. B , vol.109 , pp. 20009-20026
    • Perry, J.M.1    Moad, A.J.2    Begue, N.J.3    Wampler, R.D.4    Simpson, G.J.5
  • 15
    • 25844501659 scopus 로고    scopus 로고
    • Uncertainties in Scaling Factors for ab Initio Vibrational Frequencies
    • Irikura, K. K.; Johnson, R. D., III; Kacker, R. N. Uncertainties in Scaling Factors for ab Initio Vibrational Frequencies J. Phys. Chem. A 2005, 109, 8430-8437
    • (2005) J. Phys. Chem. A , vol.109 , pp. 8430-8437
    • Irikura, K.K.1    Johnson Iii, R.D.2    Kacker, R.N.3
  • 16
    • 84874434938 scopus 로고    scopus 로고
    • National Institute of Standards and Technology. Computational Chemistry Comparison and Benchmark DataBase. (accessed Oct 10)
    • National Institute of Standards and Technology. Computational Chemistry Comparison and Benchmark DataBase. http://cccbdb.nist.gov/ (accessed Oct 10, 2012).
    • (2012)
  • 17
    • 84874413829 scopus 로고    scopus 로고
    • National Institute of Standards and Technology. NIST Chemistry WebBook. (accessed Oct 10)
    • National Institute of Standards and Technology. NIST Chemistry WebBook. http://webbook.nist.gov/ (accessed Oct 10, 2012).
    • (2012)
  • 18
    • 30244506209 scopus 로고
    • Raman Scattering from Polymerizing Styrene. I. Vibrational Mode Analysis
    • Sears, W. M.; Hunt, J. L.; Stevens, J. R. Raman Scattering from Polymerizing Styrene. I. Vibrational Mode Analysis J. Chem. Phys. 1981, 75, 1589-1598
    • (1981) J. Chem. Phys. , vol.75 , pp. 1589-1598
    • Sears, W.M.1    Hunt, J.L.2    Stevens, J.R.3
  • 20
    • 0000637324 scopus 로고
    • Surface Vibrational Spectroscopy of Organic Counterions Bound to a Surfactant Monolayer
    • Duffy, D. C.; Davies, P. B.; Bain, C. D. Surface Vibrational Spectroscopy of Organic Counterions Bound to a Surfactant Monolayer J. Phys. Chem. 1995, 99, 15241-15246
    • (1995) J. Phys. Chem. , vol.99 , pp. 15241-15246
    • Duffy, D.C.1    Davies, P.B.2    Bain, C.D.3
  • 21
    • 84874412210 scopus 로고    scopus 로고
    • National Institute of Advanced Industrial Science and Technology, Japan. Spectral Database for Organic Compounds SDBS. (accessed)
    • National Institute of Advanced Industrial Science and Technology, Japan. Spectral Database for Organic Compounds SDBS. http://riodb01.ibase.aist.go.jp/ sdbs/ (accessed Oct 10, 2012).
    • (2012)
  • 22
    • 0000851499 scopus 로고
    • Vibrational Spectra of Styrene-H8, -D3, -D5, and -D8
    • Condirston, D. A.; Laposa, J. D. Vibrational Spectra of Styrene-H8, -D3, -D5, and -D8 J. Mol. Spectrosc. 1976, 63, 466-477
    • (1976) J. Mol. Spectrosc. , vol.63 , pp. 466-477
    • Condirston, D.A.1    Laposa, J.D.2
  • 23
    • 33846053175 scopus 로고    scopus 로고
    • Density Functional for Spectroscopy: No Long-Range Self-Interaction Error, Good Performance for Rydberg and Charge-Transfer States, and Better Performance on Average than B3LYP for Ground States
    • Zhao, Y.; Truhlar, D. G. Density Functional for Spectroscopy: No Long-Range Self-Interaction Error, Good Performance for Rydberg and Charge-Transfer States, and Better Performance on Average than B3LYP for Ground States J. Phys. Chem. A 2006, 110, 13126-13130
    • (2006) J. Phys. Chem. A , vol.110 , pp. 13126-13130
    • Zhao, Y.1    Truhlar, D.G.2
  • 24
    • 43049141516 scopus 로고    scopus 로고
    • 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
    • Zhao, Y.; Truhlar, D. G. 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 Theor. Chem. Acc. 2008, 120, 215-241
    • (2008) Theor. Chem. Acc. , vol.120 , pp. 215-241
    • Zhao, Y.1    Truhlar, D.G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.