44
1 A Historical Review of the Structures of Water and Ice
with water leads to the spatial separation and motion of electric charges [133], and the
emission of a high concentration of positively charged ions [134]. For the explanation
and other properties of water in external electric field, see Chap. 5.
Non-molecular species in water. A semi-classical simulation of the molecular
dynamics of water shows that water contains charged pairs of concentrations as
high as 1 mol/l that participate in the Grotthuss proton-diffusion mechanism [135].
Spectral-weight analysis of the experimental infrared spectra of liquid light (H 2 O),
heavy (D 2 O), and semi-heavy (HDO) water reveals a high (up to 2%) concentration
of excess protons (short-lived H 3 O
+ ions) [136]. A neutron diffraction experiment
with isotopic H/D substitution on a concentrated HCl/H 2 O solution shows that the
interaction with the solutes affects the tetrahedral network of water molecules and
that both dissociated H
+ and Cl
− ions and undissociated HCl molecules coexist in
the sample [137]. The latter goes beyond the classical Arrhenius electrolytic dissociation concept, but is confirmed by the parallel analysis of AC and DC electrical
conductivities of aqueous electrolyte solutions [54] (see Sect. 5.1).
References
1. J.L.F. Abascal, C. Vega, A general purpose model for the condensed phases of water:
TIP4P/2005. J. Chem. Phys. 123 (2005)
2. B.V. Ramirez, R.M. Benito, J. Torres-Arenas, A.L. Benavides, Water phase transitions from
the perspective of hydrogen-bond network analysis. Phys. Chem. Chem. Phys. 20, 28308–
28318 (2018)
3. D. Eisenberg, W. Kauzmann, The Structure and Properties of Water (Oxford University Press,
Oxford, 1969)
4. O. Mishima, L.D. Calvert, E. Whalley, An apparently first-order transition between two amorphous phases of ice induced by pressure. Nature 314, 76–78 (1985)
5. A.K. Soper, M.A. Ricci, Structures of high-density and low-density water. Phys. Rev. Lett.
84, 2881–2884 (2000)
6. R. Shi, J. Russo, H. Tanaka, Common microscopic structural origin for water’s thermodynamic
and dynamic anomalies. J. Chem. Phys. 149, 224502–21 (2018)
7. W.K. Röntgen, Ueber die Constitution des flüssigen Wassers. Ann. Phys. 45, 91–97 (1892)
8. F. Kohlrausch, Ad. Heydweiller, Ueber reines Wasser. Ann. d. Phys. u. Chem. 53, 14–235
(1894)
9. J.D. Bernal, R.H. Fowler, A theory of water and ionic solution, with particular reference to
hydrogen and hydroxyl ions. J. Chem. Phys. 1, 515–548 (1933)
10. R. Mecke, Das Rotationsschwingungsspektrum des Wasserdampfes. I. Zeitschrift für Physik.
81, 313–331 (1933)
11. P. Atkins, J. de Paula, Physical Chemistry, 9th edn. (W. H. Freeman and Company, New York,
2010)
12. K. Amann-Winkel, M.-C. Bellissent-Funel, L.E. Bove, T. Loerting, A. Nilsson, A. Paciaroni,
D. Schlesinger, L. Skinner, X-ray and neutron scattering of water. Chem. Rev. 116, 7570–7589
(2016)
13. P.G. Debenedetti, Supercooled and glassy water. J. Phys. Cond. Matter. 15, 1669–1726 (2003)
14. A. Nilsson, L.G.M. Pettersson, The structural origin of anomalous properties of liquid water.
Nat. Comm. 6, 2998–3009 (2015)
15. V.G. Artemov, A unified mechanism for ice and water electrical conductivity from direct
current to terahertz. Phys. Chem. Chem. Phys. 21, 8067–8072 (2019)
1 A Historical Review of the Structures of Water and Ice
with water leads to the spatial separation and motion of electric charges [133], and the
emission of a high concentration of positively charged ions [134]. For the explanation
and other properties of water in external electric field, see Chap. 5.
Non-molecular species in water. A semi-classical simulation of the molecular
dynamics of water shows that water contains charged pairs of concentrations as
high as 1 mol/l that participate in the Grotthuss proton-diffusion mechanism [135].
Spectral-weight analysis of the experimental infrared spectra of liquid light (H 2 O),
heavy (D 2 O), and semi-heavy (HDO) water reveals a high (up to 2%) concentration
of excess protons (short-lived H 3 O
+ ions) [136]. A neutron diffraction experiment
with isotopic H/D substitution on a concentrated HCl/H 2 O solution shows that the
interaction with the solutes affects the tetrahedral network of water molecules and
that both dissociated H
+ and Cl
− ions and undissociated HCl molecules coexist in
the sample [137]. The latter goes beyond the classical Arrhenius electrolytic dissociation concept, but is confirmed by the parallel analysis of AC and DC electrical
conductivities of aqueous electrolyte solutions [54] (see Sect. 5.1).
References
1. J.L.F. Abascal, C. Vega, A general purpose model for the condensed phases of water:
TIP4P/2005. J. Chem. Phys. 123 (2005)
2. B.V. Ramirez, R.M. Benito, J. Torres-Arenas, A.L. Benavides, Water phase transitions from
the perspective of hydrogen-bond network analysis. Phys. Chem. Chem. Phys. 20, 28308–
28318 (2018)
3. D. Eisenberg, W. Kauzmann, The Structure and Properties of Water (Oxford University Press,
Oxford, 1969)
4. O. Mishima, L.D. Calvert, E. Whalley, An apparently first-order transition between two amorphous phases of ice induced by pressure. Nature 314, 76–78 (1985)
5. A.K. Soper, M.A. Ricci, Structures of high-density and low-density water. Phys. Rev. Lett.
84, 2881–2884 (2000)
6. R. Shi, J. Russo, H. Tanaka, Common microscopic structural origin for water’s thermodynamic
and dynamic anomalies. J. Chem. Phys. 149, 224502–21 (2018)
7. W.K. Röntgen, Ueber die Constitution des flüssigen Wassers. Ann. Phys. 45, 91–97 (1892)
8. F. Kohlrausch, Ad. Heydweiller, Ueber reines Wasser. Ann. d. Phys. u. Chem. 53, 14–235
(1894)
9. J.D. Bernal, R.H. Fowler, A theory of water and ionic solution, with particular reference to
hydrogen and hydroxyl ions. J. Chem. Phys. 1, 515–548 (1933)
10. R. Mecke, Das Rotationsschwingungsspektrum des Wasserdampfes. I. Zeitschrift für Physik.
81, 313–331 (1933)
11. P. Atkins, J. de Paula, Physical Chemistry, 9th edn. (W. H. Freeman and Company, New York,
2010)
12. K. Amann-Winkel, M.-C. Bellissent-Funel, L.E. Bove, T. Loerting, A. Nilsson, A. Paciaroni,
D. Schlesinger, L. Skinner, X-ray and neutron scattering of water. Chem. Rev. 116, 7570–7589
(2016)
13. P.G. Debenedetti, Supercooled and glassy water. J. Phys. Cond. Matter. 15, 1669–1726 (2003)
14. A. Nilsson, L.G.M. Pettersson, The structural origin of anomalous properties of liquid water.
Nat. Comm. 6, 2998–3009 (2015)
15. V.G. Artemov, A unified mechanism for ice and water electrical conductivity from direct
current to terahertz. Phys. Chem. Chem. Phys. 21, 8067–8072 (2019)