Increased propensity of Iaq- for the water surface in non-neutral solutions: Implications for the interfacial behavior of H 3Oaq+ and OHaq-

Journal of Physical Chemistry Letters

Volumn 2, Issue 9, 2011, Pages 972-976

  Ottosson, N ^a   Cwiklik, L ^b,c   Soderstrom J ^a   Bjorneholm O ^a   Ohrwall G ^d   Jungwirth, P ^c  

^a UPPSALA UNIVERSITY   (Sweden)

^b J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

^c INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^d LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTIONS; BASIC CONDITIONS; BULK SOLUTIONS; CO-ADSORPTION; HIGH PH; HYDRONIUMS; INTERFACIAL BEHAVIORS; IODIDE ANIONS; MOLECULAR DYNAMICS SIMULATIONS; NON-NEUTRAL; SALTING OUT; SURFACE ADSORPTION; SURFACE CONCENTRATION; SURFACE DEPLETION; SURFACE ENRICHMENT; WATER SURFACE;

ADSORPTION; PHOTOELECTRON SPECTROSCOPY;

MOLECULAR DYNAMICS;

EID: 79955909583     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz2003233     Document Type: Article

References (44)

1. Dang, L. X. Solvation of the Hydronium Ion at the Water Liquid/Vapor Interface J. Chem. Phys. 2003, 119, 6351
2. Petersen, M. K.; Iyengar, S. S.; Day, T. J. F.; Voth, G. A. The Hydrated Proton at the Water Liquid/Vapor Interface J. Phys. Chem. B 2004, 108, 14804
3. Mucha, M.; Frigato, T.; Levering, L. M.; Allen, H. C.; Tobias, D. J.; Dang, L. X.; Jungwirth, P. Unified Molecular Picture of the Surfaces of Aqueous Acid, Base, and Salt Solutions J. Phys. Chem. B 2005, 109, 7617
4. Iyengar, S. S.; Day, T. J. F.; Voth, G. A. On the Amphiphilic Behavior of the Hydrated Proton: An Ab Initio Molecular Dynamics Study Int. J. Mass Spectrosc. 2005, 241, 197
5. Voth, G. A. Computer Simulation of Proton Solvation and Transport in Aqueous and Biomolecular Systems Acc. Chem. Res. 2006, 39, 143
6. Buch, V.; Milet, A.; Vacha, R.; Jungwirth, P.; Devlin, J. P. Water Surface is Acidic Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 7342
7. Wick, C. D.; Kuo, I. F. W.; Mundy, C. J.; Dang, L. X. The Effect of Polarizability for Understanding the Molecular Structure of Aqueous Interfaces J. Chem. Theory Comput. 2007, 3, 2002
8. Mundy, C. J.; Kuo, I. F. W.; Tuckerman, M. E.; Lee, H. S.; Tobias, D. J. Hydroxide Anion at the Air-Water Interface Chem. Phys. Lett. 2009, 481, 2
9. Lee, H. S.; Tuckerman, M. E. Ab Initio Molecular Dynamics Studies of the Liquid-Vapor Interface of an HCl Solution J. Phys. Chem. A 2009, 113, 2144
10. Petersen, P. B.; Saykally, R. J. Evidence for an Enhanced Hydronium Concentration at the Liquid Water Surface J. Phys. Chem. B 2005, 109, 7976
11. Tarbuck, T. L.; Ota, S. T.; Richmond, G. L. Spectroscopic Studies of Solvated Hydrogen and Hydroxide Ions at Aqueous Surfaces J. Am. Chem. Soc. 2006, 128, 14519
12. Winter, B.; Faubel, M.; Vacha, R.; Jungwirth, P. Behavior of Hydroxide at the Water/Vapor Interface Chem. Phys. Lett. 2009, 474, 241
13. Weissenborn, P. K.; Pugh, R. J. Surface Tension of Aqueous Solutions of Electrolytes: Relationship with Ion Hydration, Oxygen Solubility, and Bubble Coalescence J. Colloid Interface Sci. 1996, 184, 550
14. Marinova, K. G.; Alargova, R. G.; Denkov, N. D.; Velev, O. D.; Petsev, D. N.; Ivanov, I. B.; Borwankar, R. P. Charging of Oil-Water Interfaces Due to Spontaneous Adsorption of Hydroxyl Ions Langmuir 1996, 12, 2045
15. Beattie, J. K. The Intrinsic Charge on Hydrophobic Microfluidic Substrates Lab Chip 2006, 6, 1409
16. Beattie, J. K.; Djerdjev, A. M.; Warr, G. G. The Surface of Neat Water is Basic Faraday Discuss. 2009, 141, 31
17. Enami, S.; Hoffmann, M. R.; Colussi, A. J. Proton Availability at the Air/Water Interface J. Phys. Chem. Lett. 2010, 1, 1599
18. Zangi, R.; Engberts, J. Physisorption of Hydroxide Ions from Aqueous Solution to a Hydrophobic Surface J. Am. Chem. Soc. 2005, 127, 2272
19. Kudin, K. N.; Car, R. Why are Water-Hydrophobic Interfaces Charged? J. Am. Chem. Soc. 2008, 130, 3915
20. Tian, C. S.; Shen, Y. R. Structure and Charging of Hydrophobic Material/Water Interfaces Studied by Phase-Sensitive Sum-Frequency Vibrational Spectroscopy Proc. Natl. Acad. Sci. U.S.A 2009, 106, 15148
21. Tsierkezos, N. G.; Roithova, J.; Schroder, D.; Oncak, M.; Slavicek, P. Can Electrospray Mass Spectrometry Quantitatively Probe Speciation? Hydrolysis of Uranyl Nitrate Studied by Gas-Phase Methods Inorg. Chem. 2009, 48, 6287
22. Vacha, R.; Horinek, D.; Berkowitz, M. L.; Jungwirth, P. Hydronium and Hydroxide at the Interface between Water and Hydrophobic Media Phys. Chem. Chem. Phys. 2008, 10, 4975
23. Winter, B.; Faubel, M. Photoemission from Liquid Aqueous Solutions Chem. Rev. 2006, 106, 1176
24. Winter, B. Liquid Microjet for Photoelectron Spectroscopy Nucl. Instrum. Methods Phys. Res., Sect. A 2009, 601, 139
25. Hufner, S. Photoelectron Spectroscopy: Principles and Applications; Springer-Verlag: Berlin Heidelberg, 1995.
26. Ottosson, N.; Faubel, M.; Bradforth, S. E.; Jungwirth, P.; Winter, B. Photoelectron Spectroscopy of Liquid Water and Aqueous Solution: Electron Effective Attenuation Lengths and Emission-Angle Anisotropy J. Electron Spectrosc. Rel. Phenom. 2010, 177, 60
27. Petersen, P. B.; Saykally, R. J. Is the Liquid Water Surface Basic or Acidic? Macroscopic vs. Molecular-Scale Investigations Chem. Phys. Lett. 2008, 458, 255
28. Brown, M. A.; DAuria, R.; Kuo, I. F. W; Krisch, M. J.; Starr, D. E.; Bluhm, H.; Tobias, D. J.; Hemminger, J. C. Ion Spatial Distributions at the Liquid-Vapor Interface of Aqueous Potassium Fluoride Solutions Phys. Chem. Chem. Phys. 2008, 10, 4778
29. Krisch, M. J.; DAuria, R.; Brown, M. A.; Tobias, D. J.; Hemminger, J. C.; Ammann, M.; Starr, D. E.; Bluhm, H. The Effect of an Organic Surfactant on the Liquid-Vapor Interface of an Electrolyte Solution J. Phys. Chem. C 2007, 111, 13497
30. Ottosson, N.; Vacha, R.; Aziz, E. F.; Pokapanich, W; Eberhardt, W; Svensson, S.; Ohrwall, G.; Jungwirth, P.; Bjorneholm, O.; Winter, B. Large Variations in the Propensity of Aqueous Oxychlorine Anions for the Solution/Vapor Interface J. Chem. Phys. 2009, 131, 124706
31. Ghosal, S.; Hemminger, J. C.; Bluhm, H.; Mun, B. S.; Hebenstreit, E. L. D.; Ketteler, G.; Ogletree, D. F.; Requejo, F. G.; Salmeron, M. Electron Spectroscopy of Aqueous Solution Interfaces Reveals Surface Enhancement of Halides Science 2005, 307, 563
32. Jungwirth, P.; Tobias, D. J. Molecular Structure of Salt Solutions: A New View of the Interface with Implications for Heterogeneous Atmospheric Chemistry J. Phys. Chem. B 2001, 105, 10468
33. Dang, L. X.; Chang, T. M. Molecular Mechanism of Ion Binding to the Liquid/Vapor Interface of Water J. Phys. Chem. B 2002, 106, 235
34. Archontis, G.; Leontidis, E.; Andreou, G. Attraction of Iodide Ions by the Free Water Surface, Revealed by Simulations with a Polarizable Force Field Based on Drude Oscillators J. Phys. Chem. B 2005, 109, 17957
35. Fulton, J. L.; Schenter, G. K.; Baer, M. D.; Mundy, C. J.; Dang, L. X.; Balasubramanian, M. Probing the Hydration Structure of Polarizable Halides: A Multiedge XAFS and Molecular Dynamics Study of the Iodide Anion J. Phys. Chem. B 2008, 114, 12926
36. Bergersen, H.; Marinho, R. R. T.; Pokapanich, W.; Lindblad, A.; Bjorneholm, O.; Saethre, L. J.; Ohrwall, G. A Photoelectron Spectroscopic Study of Aqueous Tetrabutylammonium Iodide J. Phys.: Condens. Matter 2007, 19, 326101
37. Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation J. Chem. Theory Comput. 2008, 4, 435
38. Winter, B.; Weber, R.; Hertel, I. V.; Faubel, M.; Jungwirth, P.; Brown, E. C.; Bradforth, S. E. Electron Binding Energies of Aqueous Alkali and Halide Ions: EUV Photoelectron Spectroscopy of Liquid Solutions and Combined Ab Initio and Molecular Dynamics Calculations J. Am. Chem. Soc. 2005, 127, 7203
39. Ottosson, N.; Heyda, J.; Wernersson, E.; Pokapanich, W; Svensson, S.; Winter, B.; Ohrwall, G.; Jungwirth, P.; Bjorneholm, O. The Influence of Concentration on the Molecular Surface Structure of Simple and Mixed Aqueous Electrolytes Phys. Chem. Chem. Phys. 2010, 12, 10693
40. Vrbka, L.; Mucha, M.; Minofar, B.; Jungwirth, P.; Brown, E. C.; Tobias, D. J. Propensity of Soft Ions for the Air/Water Interface Curr. Opin. Colloid Interface Sci. 2004, 9, 67
41. Jungwirth, P.; Tobias, D. J. Specific Ion Effects at the Air/Water Interface Chem. Rev. 2006, 106, 1259
42. Finlayson-Pitts, B. J.; Pitts, J. N. Chemistry of the Upper and Lower Atmosphere-Theory, Experiments, and Applications; Academic Press: San Diego, CA, 2000.
43. Finlayson-Pitts, B. J. The Tropospheric Chemistry of Sea Salt: A Molecular-Level View of the Chemistry of NaCl and NaBr Chem. Rev. 2003, 103, 4801
44. Thomas, J. L.; Jimenez-Aranda, A.; Finlayson-Pitts, B. J.; Dabdub, D. Gas-Phase Molecular Halogen Formation from NaCl and NaBr Aerosols: When Are Interface Reactions Important? J. Phys. Chem. A 1859, 110, 2006