How ions affect the structure of water: A combined raman spectroscopy and multivariate curve resolution study

Journal of Physical Chemistry B

Volumn 117, Issue 51, 2013, Pages 16479-16485

  Ahmed, Mohammed ^a   Namboodiri, V ^a   Singh, Ajay K ^a   Mondal, Jahur A ^a   Sarkar, Sisir K ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CHAOTROPIC ANIONS; FERMI RESONANCES; INTEGRATED AREAS; INTERMOLECULAR COUPLING; MULTIVARIATE CURVE RESOLUTION; SPECTRAL RESPONSE; STRUCTURE OF WATERS; VIBRATIONAL MODES;

HYDRATION; HYDROGEN BONDS; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SHELLS (STRUCTURES);

NEGATIVE IONS;

EID: 84891422364     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp4100697     Document Type: Article

References (68)

1. Hribar, B.; Southall, N. T.; Vlachy, V.; Dill, K. A. How Ions Affect the Structure of Water J. Am. Chem. Soc. 2002, 124, 12302-12311
2. Collins, K. D. Charge Density-dependent Strength of Hydration and Biological Structure Biophys. J. 1997, 72, 65-76
3. Chen, X.; Yang, T.; Kataoka, S.; Cremer, P. S. Specific Ion Effects on Interfacial Water Structure near Macromolecules J. Am. Chem. Soc. 2007, 129, 12272-12279
4. Collins, K. D. Why Continuum Eelectrostatics Theories Cannot Explain Biological Structure, Polyelectrolytes or Ionic Strength Effects in Ion-Protein Interactions Biophys. Chem. 2012, 167, 43-59
5. Lund, M.; Jagoda-Cwiklik, B.; Woodward, C. E.; Vacha, R.; Jungwirth, P. Dielectric Interpretation of Specificity of Ion Pairing in Water J. Phys. Chem. Lett. 2009, 1, 300-303
6. Hofmesiter, F. Arch. Exp. Pathol. Pharmacol. 1888, 24, 247-260
7. Kunz, W.; Lo Nostro, P.; Ninham, B. W. The Present State of Affairs With Hofmeister Effects Curr. Opin. Colloid Interface Sci. 2004, 9, 1-18
8. Canchi, D. R.; Garcia, A. E. Cosolvent Effects on Protein Stability Annu. Rev. Phys. Chem. 2013, 64, 273-293
9. Zhang, Y.; Cremer, P. S. Chemistry of Hofmeister Anions and Osmolytes Annu. Rev. Phys. Chem. 2010, 61, 63-83
10. 2 Solutions Phys. Chem. Chem. Phys. 2004, 6, 537-542
11. Yonehama, K.; Yoshimura, Y.; Takekiyo, T.; Kanno, H. Variation of the Uncoupled OD Stretching Frequency with Electrolyte Concentration in Aqueous Electrolyte Solutions Bull. Chem. Soc. Jpn. 2009, 82, 563-569
12. Samoilov, O. Y. A New Approach to the Study of Hydration of Ions in Aqueous Solutions Discuss. Faraday Soc. 1957, 24, 141-146
13. Frank, H. S.; Wen, W.-Y. Ion-Solvent Interaction. Structural Aspects of Ion-Solvent Interaction in Aqueous Solutions: A Suggested Picture of Water Structure Discuss. Faraday Soc. 1957, 24, 133-140
14. Washabaugh, M. W.; Collins, K. D. The Systematic Characterization by Aqueous Column Chromatography of Solutes Which Affect Protein Stability J. Biol. Chem. 1986, 261, 12477-12485
15. Chong, S.-H.; Hirata, F. Ion Hydration: Thermodynamic and Structural Analysis with an Integral Equation Theory of Liquids J. Phys. Chem. B 1997, 101, 3209-3220
16. Stirnemann, G.; Wernersson, E.; Jungwirth, P.; Laage, D. Mechanisms of Acceleration and Retardation of Water Dynamics by Ions J. Am. Chem. Soc. 2013, 135, 11824-11831
17. Omta, A. W.; Kropman, M. F.; Woutersen, S.; Bakker, H. J. Negligible Effect of Ions on the Hydrogen-Bond Structure in Liquid Water Science 2003, 301, 347-349
18. Mondal, J. A.; Nihonyanagi, S.; Yamaguchi, S.; Tahara, T. Structure and Orientation of Water at Charged Lipid Monolayer/Water Interfaces Probed by Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy J. Am. Chem. Soc. 2010, 132, 10656-10657
19. Mondal, J. A.; Nihonyanagi, S.; Yamaguchi, S.; Tahara, T. Three Distinct Water Structures at a Zwitterionic Lipid/Water Interface Revealed by Heterodyne-Detected Vibrational Sum Frequency Generation J. Am. Chem. Soc. 2012, 134, 7842-7850
20. Allen, H. C.; Casillas-Ituarte, N. N.; Sierra-Hernandez, M. R.; Chen, X.; Tang, C. Y. Shedding Light on Water Structure at Air-Aqueous Interfaces: Ions, Lipids, and Hydration Phys. Chem. Chem. Phys. 2009, 11, 5538-5549
21. Perera, P. N.; Browder, B.; Ben-Amotz, D. Perturbations of Water by Alkali Halide Ions Measured Using Multivariate Raman Curve Resolution J. Phys. Chem. B 2009, 113, 1805-1809
22. Tauber, M. J.; Mathies, R. A. Structure of the Aqueous Solvated Electron from Resonance Raman Spectroscopy: Lessons from Isotopic Mixtures J. Am. Chem. Soc. 2003, 125, 1394-1402
23. Eftekhari-Bafrooei, A.; Borguet, E. Effect of Hydrogen-Bond Strength on the Vibrational Relaxation of Interfacial Water J. Am. Chem. Soc. 2010, 132, 3756-3761
24. Yamakata, A.; Osawa, M. Destruction of the Hydration Shell around Tetraalkylammonium Ions at the Electrochemical Interface J. Am. Chem. Soc. 2009, 131, 6892-6893
25. Heisler, I. A.; Meech, S. R. Low-Frequency Modes of Aqueous Alkali Halide Solutions: Glimpsing the Hydrogen Bonding Vibration Science 2010, 327, 857-860
26. Hidaka, F.; Kanno, H. Raman OD Stretching Spectral Differences between Aqueous and Alcoholic Tetraalkylammonium Chloride Solutions Chem. Phys. Lett. 2003, 379, 216-222
27. (2) Spectra of an Isotopically Diluted Water Surface J. Am. Chem. Soc. 2011, 133, 16875-16880
28. 2 of Liquid Carbon Disulfide in Benzene Spectrochim. Acta, Part A 2012, 89, 155-159
29. Li, R.; Jiang, Z.; Guan, Y.; Yang, H.; Liu, B. Effects of Metal Ion on the Water Structure Studied by the Raman O-H Stretching Spectrum J. Raman Spectrosc. 2009, 40, 1200-1204
30. Smith, J. D.; Saykally, R. J.; Geissler, P. L. The Effects of Dissolved Halide Anions on Hydrogen Bonding in Liquid Water J. Am. Chem. Soc. 2007, 129, 13847-13856
31. Wernersson, E.; Jungwirth, P. Effect of Water Polarizability on the Properties of Solutions of Polyvalent Ions: Simulations of Aqueous Sodium Sulfate with Different Force Fields J. Chem. Theory Comput. 2010, 6, 3233-3240
32. Jungwirth, P.; Tobias, D. J. Specific Ion Effects at the Air/Water Interface Chem. Rev. 2006, 106, 1259-1281
33. Vazdar, M.; Uhlig, F.; Jungwirth, P. Like-Charge Ion Pairing in Water: An ab Initio Molecular Dynamics Study of Aqueous Guanidinium Cations J. Phys. Chem. Lett. 2012, 3, 2021-2024
34. Fega, K. R.; Wilcox, D. S.; Ben-Amotz, D. Appl. Spectrosc. 2012, 66, 282-288
35. Lavine, B.; Workman, J. Chemometrics Anal. Chem. 2010, 82, 4699-4711
36. Rankin, B. M.; Ben-Amotz, D. Expulsion of Ions from Hydrophobic Hydration Shells J. Am. Chem. Soc. 2013, 135, 8818-8821
37. Rankin, B. M.; Hands, M. D.; Wilcox, D. S.; Fega, K. R.; Slipchenko, L. V.; Ben-Amotz, D. Interactions between Halide Anions and a Molecular Hydrophobic Interface Faraday Discuss. 2013, 160, 255-270
38. Wei, Z.-F.; Zhang, Y.-H.; Zhao, L.-J.; Liu, J.-H.; Li, X.-H. Observation of the First Hydration Layer of Isolated Cations and Anions through the FTIR-ATR Difference Spectra J. Phys. Chem. A 2005, 109, 1337-1342
39. Bergstroem, P. A.; Lindgren, J.; Kristiansson, O. An IR Study of the Hydration of Perchlorate, Nitrate, Iodide, Bromide, Chloride, and Sulfate Anions in Aqueous Solution J. Phys. Chem. 1991, 95, 8575-8580
40. Max, J.; B., S.; Veilleux, A.; Chapados, C. IR Spectroscopy of Aqueous Alkali Halides. Factor Analysis Can. J. Chem. 2001, 79, 13-21
41. 2 Aqueous Slution Spectrosc. Lett. 1988, 21, 369-381
42. Davis, J. G.; Gierszal, K. P.; Wang, P.; Ben-Amotz, D. Water Structural Transformation at Molecular Hydrophobic Interfaces Nature 2012, 491, 582-585
43. Perera, P. N.; Fega, K. R.; Lawrence, C.; Sundstrom, E. J.; Tomlinson-Phillips, J.; Ben-Amotz, D. Observation of Water Dangling OH Bonds around Dissolved Nonpolar Groups Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 12230-12234
44. Davis, J. G.; Rankin, B. M.; Gierszal, K. P.; Ben-Amotz, D. On the Cooperative Formation of Non-hydrogen-bonded Water at Molecular Hydrophobic Interfaces Nat. Chem. 2013, 5, 796-802
45. Bakker, H. J.; Skinner, J. L. Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water Chem. Rev. 2010, 110, 1498-1517
46. Auer, B. M.; Skinner, J. L. Dynamical effects in Line Shapes for Coupled Chromophores: Time-averaging Approximation J. Chem. Phys. 2008, 127, 104105
47. Jung, Y.; Marcus, R. A. On the Theory of Organic Catalysis "on Water" J. Am. Chem. Soc. 2007, 129, 5492-5502
48. Auer, B. M.; Skinner, J. L. IR and Raman Spectra of Liquid Water: Theory and Interpretation J. Chem. Phys. 2008, 128, 224511
49. Yang, M.; Skinner, J. L. Signatures of Coherent Vibrational Energy Transfer in IR and Raman Line Shapes for Liquid Water Phys. Chem. Chem. Phys. 2010, 12, 982-991
50. Wiafe-Akenten, J.; Bansil, R. Intermolecular Coupling in HOD Solutions J. Chem. Phys. 1983, 78, 7132-7137
51. Hare, D. E.; Sorensen, C. M. Interoscillator Coupling Effects on the OH Stretching Band of Liquid Water J. Chem. Phys. 1992, 96, 13-22
52. Sokołowska, A.; Kȩcki, Z. Inter- and Intra-molecular Coupling and Fermi Resonance in the Raman Spectra of Liquid Water J. Raman Spectrosc. 1986, 17, 29-33
53. Sovago, M.; Campen, R. K.; Wurpel, G. W. H.; Muller, M.; Bakker, H. J.; Bonn, M. Vibrational Response of Hydrogen-bonded Interfacial Water is Dominated by Intramolecular Coupling Phys. Rev. Lett. 2008, 100, 173901
54. Ahmed, M.; Singh, A. K.; Mondal, J. A.; Sarkar, S. K. Water in the Hydration Shell of Halide Ions Has Significantly Reduced Fermi Resonance and Moderately Enhanced Raman Cross Section in the OH Stretch Regions J. Phys. Chem. B 2013, 117, 9728-9733
55. Tauler, R. Multivariate Curve Resolution Applied to Second Order Data Chemom. Intell. Lab. Syst. 1995, 30, 133-146
56. Ruckebusch, C.; Sliwa, M.; Pernot, P.; de Juan, A.; Tauler, R. Comprehensive Data Analysis of Femtosecond Transient Absorption Spectra: A Review J. Photochem. Photobiol., C 2012, 13, 1-27
57. Abdollahi, H.; Maeder, M.; Tauler, R. Calculation and Meaning of Feasible Band Boundaries in Multivariate Curve Resolution of a Two-Component System Anal. Chem. 2009, 81, 2115-2122
58. Kuligowski, J.; Quintas, G.; Tauler, R.; Lendl, B.; de la Guardia, M. Background Correction and Multivariate Curve Resolution of Online Liquid Chromatography with Infrared Spectrometric Detection Anal. Chem. 2011, 83, 4855-4862
59. Walrafen, G. E. Raman Spectral Studies of the Effects of Perchlorate Ion on Water Structure J. Chem. Phys. 1970, 52, 4176
60. Laage, D.; Hynes, J. T. A Molecular Jump Mechanism of Water Reorientation Science 2006, 311, 832-835
61. Cannon, W. R.; Pettitt, B. M.; McCammon, J. A. Sulfate Anion in Water: Model Structural, Thermodynamic, and Dynamic Properties J. Phys. Chem. 1994, 98, 6225-6230
62. Gopalakrishnan, S.; Jungwirth, P.; Tobias, D. J.; Allen, H. C. Air-Liquid Interfaces of Aqueous Solutions Containing Ammonium and Sulfate: Spectroscopic and Molecular Dynamics Studies J. Phys. Chem. B 2005, 109, 8861-8872
63. Aoki, K.; Yamawaki, H.; Sakashita, M. Pressure-Tuned Fermi Resonance in Ice VII Science 1995, 268, 1322-1324
64. Sharp, K. A.; Bhupinder, M.; Eric, M.; Jane, M. V. Water Structure Changes Induced by Hydrophobic and Polar Solutes Revealed by Simulations and Infrared Spectroscopy J. Chem. Phys. 2001, 114, 1791-1796
65. Weston, R. E., Jr. Raman Spectra of Electrolyte Solutions in Light and Heavy Water Spectrochim. Acta 1962, 18, 1257-1277
66. Ghosh, A.; Smits, M.; Bredenbeck, J.; Bonn, M. Membrane-Bound Water Is Energetically Decoupled from Nearby Bulk Water: An Ultrafast Surface-Specific Investigation J. Am. Chem. Soc. 2007, 129, 9608-9609
67. O'Brien, J. T.; Prell, J. S.; Bush, M. F.; Williams, E. R. Sulfate Ion Patterns Water at Long Distance J. Am. Chem. Soc. 2010, 132, 8248-8249
68. Nihonyanagi, S.; Yamaguchi, S.; Tahara, T. Direct Evidence for Orientational Flip-Flop of Water Molecules at Charged Interfaces: A Heterodyne-detected Vibrational Sum Frequency Generation Study J. Chem. Phys. 2009, 130, 204704