Quantitative orientation analysis by sum frequency generation in the presence of near-resonant background signal: Acetonitrile on rutile TiO 2 (110)

Journal of Physical Chemistry A

Volumn 117, Issue 29, 2013, Pages 6288-6302

  Jang, Joon Hee ^a   Lydiatt, Francis ^b   Lindsay, Rob ^b   Baldelli, Steven ^a  

^a University of Houston   (United States)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BIREFRINGENT MATERIALS; MEASUREMENT TECHNIQUES; ORIENTATION INFORMATION; SEMICONDUCTOR SUBSTRATE; SOLID-VAPOR INTERFACE; SPECTRAL INTERFERENCE; SPECTROSCOPIC TECHNIQUE; SUM FREQUENCY GENERATION;

ANISOTROPY; DIELECTRIC MATERIALS; MOLECULAR ORIENTATION; MOLECULES; OXIDE MINERALS; POLARIZATION; SPECTRUM ANALYSIS; SUBSTRATES; TITANIUM DIOXIDE; VAPORS;

ACETONITRILE;

EID: 84880792312     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp401019p     Document Type: Article

References (65)

1. 2 Interface Phys. Rev. Lett. 1979, 43, 1683-1686
2. Krzywiecki, M.; Grzadziel, L.; Peisert, H.; Biswas, I.; Chasse, T.; Szuber, J. X-ray Photoelectron Spectroscopy Characterization of Native and RCA-Treated Si (111) Substrates and Their Influence on Surface Chemistry of Copper Phthalocyanine Thin Films Thin Solid Films 2010, 518, 2688-2694
3. Palacio, C.; Arranz, A. Nanoscale Ion-Beam Mixing of Ti/Si Interfaces: An X-ray Photoelectron Spectroscopy and Factor Analysis Study Surf. Sci. 2005, 578, 71-79
4. Toselli, M.; Gardella, J. A.; Messori, M.; Hawkridge, A. M.; Pilati, F.; Tonelli, C. Surface Chemical Analysis of Poly(ε-caprolactone)- Perfluoropolyether-Poly(ε-caprolactone) Triblock Copolymers by X-ray Photoelectron Spectroscopy Polym. Int. 2003, 52, 1262-1274
5. Chung, Y. W.; Lo, W. J.; Somorjai, G. A. Low-Energy Electron-Diffraction and Electron-Spectroscopy Studies of Clean (110) and (100) Titanium-Dioxide (Rutile) Crystal-Surfaces Surf. Sci. 1977, 64, 588-602
6. Zanazzi, E.; Jona, F. Reliability Factor for Surface-Structure Determinations by Low-Energy Electron-Diffraction Surf. Sci. 1977, 62, 61-80
7. 3(111) (1×1) Determined by Density Functional Theory Calculations and Low Energy Electron Diffraction Surf. Sci. 2012, 606, 1-6
8. Hahn, J. R.; Kang, H. Vacancy and Interstitial Defects at Graphite Surfaces: Scanning Tunneling Microscopic Study of the Structure, Electronic Property, and Yield for Ion-Induced Defect Creation Phys. Rev. B 1999, 60, 6007-6017
9. Hibino, M.; Sumi, A.; Tsuchiya, H.; Hatta, I. Microscopic Origin of the Odd-Even Effect in Monolayer of Fatty Acids Formed on a Graphite Surface by Scanning Tunneling Microscopy J. Phys. Chem. B 1998, 102, 4544-4547
10. Flach, C. R.; Gericke, A.; Mendelsohn, R. Quantitative Determination of Molecular Chain Tilt Angles in Monolayer Films at the Air/Water Interface: Infrared Reflection/Absorption Spectroscopy of Behenic Acid Methyl Ester J. Phys. Chem. B 1997, 101, 58-65
11. Kubota, J.; Ma, Z.; Zaera, F. In Situ Characterization of Adsorbates in Solid-Liquid Interfaces by Reflection-Absorption Infrared Spectroscopy Langmuir 2003, 19, 3371-3376
12. Le Calvez, E.; Blaudez, D.; Buffeteau, T.; Desbat, B. Effect of Cations on the Dissociation of Arachidic Acid Monolayers on Water Studied by Polarization-Modulated Infrared Reflection-Absorption Spectroscopy Langmuir 2001, 17, 670-674
13. Ozensoy, E.; Meier, D. C.; Goodman, D. W. Polarization Modulation Infrared Reflection Absorption Spectroscopy at Elevated Pressures: CO Adsorption on Pd(111) at Atmospheric Pressures J. Phys. Chem. B 2002, 106, 9367-9371
14. Buck, M.; Himmelhaus, M. Vibrational Spectroscopy of Interfaces by Infrared-Visible Sum Frequency Generation J. Vac. Sci. Technol. A 2001, 19, 2717-2736
15. Santos, C. S.; Baldelli, S. Surface Orientation of 1-Methyl-, 1-Ethyl-, and 1-Butyl-3-methylimidazolium Methyl Sulfate as Probed by Sum-Frequency Generation Vibrational Spectroscopy J. Phys. Chem. B 2007, 111, 4715-4723
16. Shen, Y. R. Surface-Properties Probed by 2nd-Harmonic and Sum-Frequency Generation Nature 1989, 337, 519-525
17. Baldelli, S.; Bao, J.; Wu, W.; Pei, S.-S. Sum Frequency Generation Study on the Orientation of Room-Temperature Ionic Liquid at the Graphene-Ionic Liquid Interface Chem. Phys. Lett. 2011, 516, 171-173
18. Wang, H. F.; Gan, W.; Lu, R.; Rao, Y.; Wu, B. H. Quantitative Spectral and Orientational Analysis in Surface Sum Frequency Generation Vibrational Spectroscopy (SFG-VS) Int. Rev. Phys. Chem. 2005, 24, 191-256
19. Martinez, I. S.; Baldelli, S. On the Arrangement of Ions in Imidazolium-Based Room Temperature Ionic Liquids at the Gas-Liquid Interface, Using Sum Frequency Generation, Surface Potential, and Surface Tension Measurements J. Phys. Chem. C 2010, 114, 11564-11575
20. Yamaguchi, S.; Shiratori, K.; Morita, A.; Tahara, T. Electric Quadrupole Contribution to the Nonresonant Background of Sum Frequency Generation at Air/Liquid Interfaces J. Chem. Phys. 2011, 134, 184705
21. Zhang, H. P.; Romero, C.; Baldelli, S. Preparation of Alkanethiol Monolayers on Mild Steel Surfaces Studied with Sum Frequency Generation and Electrochemistry J. Phys. Chem. B 2005, 109, 15520-15530
22. Ye, P.; Shen, Y. Local-Field Effect on Linear and Nonlinear Optical Properties of Adsorbed Molecules Phys. Rev. B 1983, 28, 4288-4294
23. Cimatu, K.; Baldelli, S. Spatially Resolved Surface Analysis of an Octadecanethiol Self-Assembled Monolayer on Mild Steel Using Sum Frequency Generation Imaging Microscopy J. Phys. Chem. C 2007, 111, 7137-7143
24. Rao, Y.; Tao, Y.-s.; Wang, H.-F. Quantitative Analysis of Orientational Order in the Molecular Monolayer by Surface Second Harmonic Generation J. Chem. Phys. 2003, 119, 5226-5236
25. Nishi, N.; Hobara, D.; Yamamoto, M.; Kakiuchi, T. Chain-Length-Dependent Change in the Structure of Self-Assembled Monolayers of N -Alkanethiols on Au(111) Probed by Broad-Bandwidth Sum Frequency Generation Spectroscopy J. Chem. Phys. 2003, 118, 1904-1911
26. Noguchi, H.; Ito, M.; Uosaki, K. Molecular Orientation of Self-Assembled Monolayer of Octadecanethiol on Platinum Surface Studied by Femtosecond Broad-Bandwidth Sum Frequency Generation Spectroscopy Chem. Lett. 2005, 34, 950-951
27. Ishiyama, T.; Sokolov, V. V.; Morita, A. Molecular Dynamics Simulation of Liquid Methanol. I. Molecular Modeling Including C-H Vibration and Fermi Resonance J. Chem. Phys. 2011, 134, 024509
28. Ishiyama, T.; Sokolov, V. V.; Morita, A. Molecular Dynamics Simulation of Liquid Methanol. II. Unified Assignment of Infrared, Raman, and Sum Frequency Generation Vibrational Spectra in Methyl C-H Stretching Region J. Chem. Phys. 2011, 134, 024510
29. Diebold, U. The Surface Science of Titanium Dioxide Surf. Sci. Rep. 2003, 48, 53-229
30. 2 Films Nature 1991, 353, 737-740
31. Wang, R.; Hashimoto, K.; Fujishima, A.; Chikuni, M.; Kojima, E.; Kitamura, A.; Shimohigoshi, M.; Watanabe, T. Light-Induced Amphiphilic Surfaces Nature 1997, 388, 431-432
32. Lausmaa, J.; Kasemo, B.; Mattsson, H. Surface Spectroscopic Characterization of Titanium Implant Materials Appl. Surf. Sci. 1990, 44, 133-146
33. Hoffmann, M. R.; Martin, S. T.; Choi, W. Y.; Bahnemann, D. W. Environmental Applications of Semiconductor Photocatalysis Chem. Rev. 1995, 95, 69-96
34. 2 J. Phys. Chem. B 1999, 103, 6957-6967
35. 2 supplied as Vapors and in Aqueous Solution under Similar Conditions Environ. Sci. Technol. 1996, 30, 2014-2020
36. 2 Film Detected by Sum Frequency Generation: Trace Hydrocarbons and Hydroxyl Groups Langmuir 2003, 19, 7330-7334
37. 2: An in Situ Sum-Frequency Generation Study J. Am. Chem. Soc. 2004, 126, 8094-8095
38. 2 Film by Sum Frequency Generation Using Methanol as a Molecular Probe J. Phys. Chem. B 2004, 108, 265-272
39. 2 Probed by Sum Frequency Generation Spectroscopy J. Am. Chem. Soc. 2005, 127, 9736-9744
40. 2 Probed by Sum Frequency Generation Chem. Phys. 2007, 339, 86-93
41. 2 Surfaces at the Solid Liquid Interface Langmuir 2011, 27, 2411-2419
42. Liu, L.; Li, S.; Cao, Z.; Peng, Y.; Li, G.; Yan, T.; Gao, X.-P. Well-Ordered Structure at Ionic Liquid/Rutile (110) Interface J. Phys. Chem. C 2007, 111, 12161-12164
43. Koeppen, S.; Langel, W. Adsorption of Small Organic Molecules on Anatase and Rutile Surfaces: A Theoretical Study Phys. Chem. Chem. Phys. 2008, 10, 1907-1915
44. 2 Chem. Phys. Lett. 1992, 196, 97-102
45. Bain, C. D. Sum-Frequency Vibrational Spectroscopy of the Solid-Liquid Interface J. Chem. Soc., Faraday Trans. 1995, 91, 1281-1296
46. Hirose, C.; Akamatsu, N.; Domen, K. Formulas for the Analysis of the Surface SFG Spectrum and Transformation Coefficients of Cartesian SFG Tensor Components Appl. Spectrosc. 1992, 46, 1051-1072
47. Huang, J. Y.; Shen, Y. R. Sum-Frequency Generation as a Surface Probe. In Laser Spectroscopy and Photochemistry on Metal Surfaces; Dai, H.-L.; Ho, W., Eds.; World Scientific: Singapore, 1995; Vol. 5.
48. Guyot-Sionnest, P.; Shen, Y. Local and Nonlocal Surface Nonlinearities for Surface Optical Second-Harmonic Generation Phys. Rev. B 1987, 35, 4420-4426
49. Wei, X.; Hong, S.-C.; Lvovsky, A. I.; Held, H.; Shen, Y. R. Evaluation of Surface vs Bulk Contributions in Sum-Frequency Vibrational Spectroscopy Using Reflection and Transmission Geometries J. Phys. Chem. B 2000, 104, 3349-3354
50. Braun, R.; Casson, B. D.; Bain, C. D.; van der Ham, E. W. M.; Vrehen, Q. H. F.; Eliel, E. R.; Briggs, A. M.; Davies, P. B. Sum-Frequency Generation from Thiophenol on Silver in the Mid and Far-IR J. Chem. Phys. 1999, 110, 4634-4640
51. Guyot-Sionnest, P.; Chen, W.; Shen, Y. General Considerations on Optical Second-Harmonic Generation from Surfaces and Interfaces Phys. Rev. B 1986, 33, 8254-8263
52. Hirose, C.; Yamamoto, H.; Akamatsu, N.; Domen, K. Orientation Analysis by Simulation of Vibrational Sum Frequency Generation Spectrum: CH Stretching Bands of the Methyl Group J. Phys. Chem. 1993, 97, 10064-10069
53. Hirose, C.; Akamatsu, N.; Domen, K. Formulas for the Analysis of Surface Sum-Frequency Generation Spectrum by CH Stretching Modes of Methyl and Methylene Groups J. Chem. Phys. 1992, 96, 997-1004
54. Lu, R.; Gan, W.; Wu, B. H.; Zhang, Z.; Guo, Y.; Wang, H. F. C-H Stretching Vibrations of Methyl, Methylene and Methine Groups at the Vapor/Alcohol (N = 1-8) Interfaces J. Phys. Chem. B 2005, 109, 14118-14129
55. Zhang, D.; Gutow, J.; Eisenthal, K. B. Vibrational-Spectra, Orientations, and Phase-Transitions in Long-Chain Amphiphiles at the Air-Water-Interface- Probing the Head and Tail Groups by Sum-Frequency Generation J. Phys. Chem. 1994, 98, 13729-13734
56. Whittenburg, S. L.; Wang, C. H. Light-Scattering Studies of Rotational and Vibrational Relaxations of Acetonitrile in Carbon-Tetrachloride J. Chem. Phys. 1977, 66, 4255-4262
57. Kim, J.; Chou, K. C.; Somorjai, G. A. Structure and Dynamics of Acetonitrile at the Air/Liquid Interface of Binary Solutions Studied by Infrared-Visible Sum Frequency Generation J. Phys. Chem. B 2003, 107, 1592-1596
58. 2 Vicinal Surfaces by Second Harmonic and Sum Frequency Generation Spectroscopy J. Chem. Phys. 2011, 134, 154704
59. 2(110) e-J. Surf. Sci. Nanotechnol. 2010, 8, 84-88
60. 2 Particles Acta Mater. 2000, 48, 4571-4576
61. Penzkofer, A.; Falkenstein, W. Direct Determination of Intensity of Picosecond Light-Pulses by 2-Photon Absorption Opt. Commun. 1976, 17, 1-5
62. 2(110) in Air Surf. Sci. 1998, 402-404, 537-541
63. Wang, J.; Clarke, M. L.; Chen, Z. Polarization Mapping: A Method to Improve Sum Frequency Generation Spectral Analysis Anal. Chem. 2004, 76, 2159-2167
64. Chen, H.; Gan, W.; Wu, B. H.; Wu, D.; Zhang, Z.; Wang, H. F. Determination of the Two Methyl Group Orientations at Vapor/Acetone Interface with Polarization Null Angle Method in SFG Vibrational Spectroscopy Chem. Phys. Lett. 2005, 408, 284-289
65. Hernandez, M.; Chinwangso, P.; Cimatu, K.; Srisombat, L.-O.; Lee, T. R.; Baldelli, S. Chemical Imaging and Distribution Analysis of Mono-, Bi-, and Tridentate Alkanethiol Self-Assembled Monolayers on Gold by Sum Frequency Generation Imaging Microscopy J. Phys. Chem. C 2011, 115, 4688-4695