46
1 A Historical Review of the Structures of Water and Ice
43. P. Wernet, D. Nordlund, U. Bergmann, M. Cavalleri, M. Odelius, H. Ogasawara, L.A. Naslund,
T.K. Hirsch, L. Ojamae, P. Glatzel et al., The structure of the first coordination shell in liquid
water. Science 304, 995–999 (2004)
44. F. Sciortino, A. Geiger, H.E. Stanley, Effect of defects on molecular mobility in liquid water.
Nature 354, 218–221 (1991)
45. O.Ya. Samoilov, Structure of Aqueous Electrolyte Solutions and the Hydration of Ions (Consultants Bureau, New York, 1965)
46. D.G. Archer, P. Wang, The dielectric constant of water and Debye-Hückel limiting law slopes.
J. Phys. Chem. Ref. Dat. 19, 371–411 (1990)
47. N.W. Ashcroft, N.D. Mermin, Solid State Physics (Saunders College, Philadelphia, 1976)
48. V.G. Artemov, Dielectric spectrum of water as a proton dynamics response. Bull. Lebedev
Phys. Inst. 42, 187–191 (2015)
49. A.P. Gaiduk, T.A. Pham, M. Govoni, F. Paesani, G. Galli, Electron affinity of liquid water.
Nat. Comm. 9, 247–6 (2018)
50. D. Marx, Proton transfer 200 years after von Grotthuss: insights from ab initio simulations.
Chem. Phys. Chem. 7, 1848–1870 (2006)
51. J. O’M. Bockris, A.K.N. Reddy, M. Gamboa-Aldeco, Modern Electrochemistry (2nd ed.)
(Springer, Berlin, 1998)
52. F. Kohlrausch, A. Heydweiller, Ueber reines wasser. Weid. ann. 53, 209–224 (1894)
53. F. Kohlrausch, A. Heydweiller, Zeit Physik. Chem. 14, 317–330 (1894)
54. V.G. Artemov, A.A. Volkov, N.N. Sysoev, A.A. Volkov, Conductivity of aqueous HCl, NaOH
and NaCl solutions: Is water just a substrate? EPL. 109, 26002–6 (2016)
55. R. Pauliukaite, J. Juodkazyt˙ e, R. Ramanauskas, Theodor von Grotthuss’ contribution to electrochemistry. Electrochim. Acta 236, 28–32 (2017)
56. F. Dahms, R. Costard, E. Pines, B.P. Fingerhut, E.T.J. Nibbering, T. Elsaesser, The hydrated
excess proton in the Zundel Cation HO: the role of ultrafast solvent fluctuations. Angew.
Chem. Int. Ed. 55, 10600–10605 (2016)
57. D. Svozil, P. Jungwirth, Cluster model for the ionic product of water: accuracy and limitations
of common density functional methods. J. Phys. Chem. A. 110, 9194–9199 (2006)
58. C. Kobayashi, S. Saito, I. Ohmine, Mechanism of fast proton transfer in ice: potential energy
surface and reaction coordinate analyses. J. Chem. Phys. 113, 9090–9100 (2000)
59. W. Amir, G. Gallot, F. Hache, S. Bratos, J.-C. Leicknam, R. Vuilleumier, Time-resolved
observation of the Eigen cation in liquid water. J. Chem. Phys. 126, 034511–7 (2007)
60. S. Scheiner, Proton transfers in hydrogen-bonded systems. 4. Cationic dimers of ammonia
and OH 2 . J. Phys. Chem. 86, 376–382 (1982)
61. N. Agmon, Proton solvation and proton mobility. Israel J. Chem. 39, 493–502 (1999)
62. E. Pines, D. Huppert, N. Agmon, Geminate recombination in excited-state proton-transfer
reactions-numerical-solution of the Debye-Smoluchowski equation with backreaction and
comparison with experimental results. J. Chem. Phys. 88, 5620–5630 (1988)
63. J.H. Wang, C.V. Robinson, I.S. Edelman, Self-diffusion and structure of liquid water: III.
Measurement of the self-diffusion of liquid water with H 2 , H 3 and O 18 as tracers. J. Am.
Chem. Soc. 75, 466–470 (1953)
64. K. Goto, T. Hondoh, A. Higashi, Determination of diffusion coefficients of self-interstitials in
ice with a new method of observing climb of dislocations by X-ray topography. Jpn. J. Appl.
Phys. 25, 351–357 (1986)
65. M. Holz, S.R. Heil, A. Sacco, Temperature-dependent self-diffusion coefficients of water and
six selected molecular liquids for calibration in accurate 1 H NMR PFG measurements. Phys.
Chem. Chem. Phys. 2, 4740–4742 (2000)
66. S.A. Fischer, B.I. Dunlap, D. Gunlycke, Correlated dynamics in aqueous proton diffusion.
Chem. Sci. 9, 7126–7132 (2018)
67. M. Francl, Urban legends of chemistry. Nat. Chem. 2, 600–601 (2010)
68. Quantities and units—Part 8: Physical chemistry and molecular physics, Annex C (normative):
pH. International Organization for Standardization (1992)
69. R.G. Bates, Determination of pH: Theory and Practice (Wiley, 1973)
1 A Historical Review of the Structures of Water and Ice
43. P. Wernet, D. Nordlund, U. Bergmann, M. Cavalleri, M. Odelius, H. Ogasawara, L.A. Naslund,
T.K. Hirsch, L. Ojamae, P. Glatzel et al., The structure of the first coordination shell in liquid
water. Science 304, 995–999 (2004)
44. F. Sciortino, A. Geiger, H.E. Stanley, Effect of defects on molecular mobility in liquid water.
Nature 354, 218–221 (1991)
45. O.Ya. Samoilov, Structure of Aqueous Electrolyte Solutions and the Hydration of Ions (Consultants Bureau, New York, 1965)
46. D.G. Archer, P. Wang, The dielectric constant of water and Debye-Hückel limiting law slopes.
J. Phys. Chem. Ref. Dat. 19, 371–411 (1990)
47. N.W. Ashcroft, N.D. Mermin, Solid State Physics (Saunders College, Philadelphia, 1976)
48. V.G. Artemov, Dielectric spectrum of water as a proton dynamics response. Bull. Lebedev
Phys. Inst. 42, 187–191 (2015)
49. A.P. Gaiduk, T.A. Pham, M. Govoni, F. Paesani, G. Galli, Electron affinity of liquid water.
Nat. Comm. 9, 247–6 (2018)
50. D. Marx, Proton transfer 200 years after von Grotthuss: insights from ab initio simulations.
Chem. Phys. Chem. 7, 1848–1870 (2006)
51. J. O’M. Bockris, A.K.N. Reddy, M. Gamboa-Aldeco, Modern Electrochemistry (2nd ed.)
(Springer, Berlin, 1998)
52. F. Kohlrausch, A. Heydweiller, Ueber reines wasser. Weid. ann. 53, 209–224 (1894)
53. F. Kohlrausch, A. Heydweiller, Zeit Physik. Chem. 14, 317–330 (1894)
54. V.G. Artemov, A.A. Volkov, N.N. Sysoev, A.A. Volkov, Conductivity of aqueous HCl, NaOH
and NaCl solutions: Is water just a substrate? EPL. 109, 26002–6 (2016)
55. R. Pauliukaite, J. Juodkazyt˙ e, R. Ramanauskas, Theodor von Grotthuss’ contribution to electrochemistry. Electrochim. Acta 236, 28–32 (2017)
56. F. Dahms, R. Costard, E. Pines, B.P. Fingerhut, E.T.J. Nibbering, T. Elsaesser, The hydrated
excess proton in the Zundel Cation HO: the role of ultrafast solvent fluctuations. Angew.
Chem. Int. Ed. 55, 10600–10605 (2016)
57. D. Svozil, P. Jungwirth, Cluster model for the ionic product of water: accuracy and limitations
of common density functional methods. J. Phys. Chem. A. 110, 9194–9199 (2006)
58. C. Kobayashi, S. Saito, I. Ohmine, Mechanism of fast proton transfer in ice: potential energy
surface and reaction coordinate analyses. J. Chem. Phys. 113, 9090–9100 (2000)
59. W. Amir, G. Gallot, F. Hache, S. Bratos, J.-C. Leicknam, R. Vuilleumier, Time-resolved
observation of the Eigen cation in liquid water. J. Chem. Phys. 126, 034511–7 (2007)
60. S. Scheiner, Proton transfers in hydrogen-bonded systems. 4. Cationic dimers of ammonia
and OH 2 . J. Phys. Chem. 86, 376–382 (1982)
61. N. Agmon, Proton solvation and proton mobility. Israel J. Chem. 39, 493–502 (1999)
62. E. Pines, D. Huppert, N. Agmon, Geminate recombination in excited-state proton-transfer
reactions-numerical-solution of the Debye-Smoluchowski equation with backreaction and
comparison with experimental results. J. Chem. Phys. 88, 5620–5630 (1988)
63. J.H. Wang, C.V. Robinson, I.S. Edelman, Self-diffusion and structure of liquid water: III.
Measurement of the self-diffusion of liquid water with H 2 , H 3 and O 18 as tracers. J. Am.
Chem. Soc. 75, 466–470 (1953)
64. K. Goto, T. Hondoh, A. Higashi, Determination of diffusion coefficients of self-interstitials in
ice with a new method of observing climb of dislocations by X-ray topography. Jpn. J. Appl.
Phys. 25, 351–357 (1986)
65. M. Holz, S.R. Heil, A. Sacco, Temperature-dependent self-diffusion coefficients of water and
six selected molecular liquids for calibration in accurate 1 H NMR PFG measurements. Phys.
Chem. Chem. Phys. 2, 4740–4742 (2000)
66. S.A. Fischer, B.I. Dunlap, D. Gunlycke, Correlated dynamics in aqueous proton diffusion.
Chem. Sci. 9, 7126–7132 (2018)
67. M. Francl, Urban legends of chemistry. Nat. Chem. 2, 600–601 (2010)
68. Quantities and units—Part 8: Physical chemistry and molecular physics, Annex C (normative):
pH. International Organization for Standardization (1992)
69. R.G. Bates, Determination of pH: Theory and Practice (Wiley, 1973)