Abstract
Quantitative characteristics of the immediate environment of ions in aqueous ZnCl2 solutions are determined by XRD in a wide range of concentrations. In a saturated solution, the Zn2+ ion coordinates two water molecules at a distance of 0.208 nm. The ions form an associate containing one Cl– ion at a distance of 0.225 nm and two Cl– ions at a distance of 0.380 nm. As the concentration decreases, the Cl– ions leave the associate, starting with more distant ions and proceeding with the ion of the contact ion pair. As a result, the ion pairs are destroyed and Zn2+ and Cl– ions undergo independent hydration. The number of water molecules in the coordination sphere of Zn2+ ions increases up to six within a distance of 0.212 nm. Dilution naturally increases the number of water molecules in the anion′s hydration sphere at an average distance of 0.312 nm and in the cation′s second coordination sphere at an average distance of 0.424 nm.
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REFERENCES
S. P. Dagnall, D. N. Hagne, and A. D. C. Towl. J. Chem. Soc. Faraday Trans., 1982, 78, 2161.
R. Caminiti, P. Cucca, M. Monduzzi, G. Saba, and G. Crisponi. J. Chem. Phys., 1984, 81, 543, DOI: 10.1063/1.447336.
K. Ozutsumi, T. Yamaguchi, H. Ohtaki, K. Tohji, and Y. Udagawa. Bull. Chem. Soc. Jap., 1985, 58, 2786, DOI: 10.1246/bcsj.58.2786.
A. Munoz-Paez, R. R. Pappalardo, and M. E. Sanchez. J. Am. Chem. Soc., 1995, 117, 11710, DOI: 10.1021/ja00152a012.
P. DAngelo, A. Zitolo, F. Ceccacci, R. Caminiti, and G. Aquilanti. J. Chem. Phys., 2011, 135, 154509, DOI: 10.1063/1.3653939.
Y. P. Yongyai, S. Kokpol, and B. M. Rode. Chem. Phys., 1991, 156, 403, DOI: 10.1016/0301-0104(91)89009-Y.
G. W. Marini, N. R. Texler, and B. M. Rode. J. Phys. Chem., 1996, 100, 6808, DOI: 10.1021/jp953375t.
S. Obst and H. Bradaczek. J. Mol. Model., 1997, 3, 224, DOI: 10.1007/s008940050034.
M. Arab, D. Bougeard, and K. S. Smirnov. Chem. Phys. Lett., 2003, 379, 268, DOI: 10.1016/S0009-2614(03)01252-1.
M. Q. Fatmi, T. S. Hofer, B. R. Randolf, and B. M. Rode. J. Chem. Phys., 2005, 123, 054514, DOI: 10.1063/1.1996575.
A. M. Mohammed, H. H. Loeffler, Y. Inada, K. Tanada, and S. Funahashi. J. Mol. Liq., 2005, 119, 55, DOI: 10.1016/j.molliq.2004.10.008.
E. Cauët, S. Bogatko, J. H. Weare, J. L. Fulton, G. K. Schenter, and E. J. Bylaska. J. Chem. Phys., 2010, 132, 194502, DOI: 10.1063/1.3421542.
A. Kuzmin, S. Obst, and J. Purans. J. Phys. Condens. Matter, 1997, 9, 10065, DOI: 10.1088/0953-8984/9/46/004.
P. DAngelo, V. Barone, G. Chillemi, N. Sanna, W. Meyer-Klaucke, and N. V. Pavel. J. Am. Chem. Soc., 2002, 124, 1958, DOI: 10.1021/ja015685x.
V. Migliorati, G. Mancini, S. Tatoli, A. Zitolo, A. Filipponi, S. De Panfilis, A. Di Cicco, and P. DAngelo. Inorg. Chem., 2013, 52, 1141, DOI: 10.1021/ic302530k.
D. H. Powell, P. M. N. Gullidge, G. W. Neilson, and M. C. Bellissent-Funel. Mol. Phys., 1990, 71, 1107, DOI: 10.1080/00268979000102351.
G. Loffler, Th. Mager, H. Bertagnolli, and O. Steinhauser. J. Chem. Phys., 1996, 104, 7239, DOI: 10.1063/1.471405.
W. W. Rudolph and C. C. Pye. Phys. Chem. Chem. Phys., 1999, 1, 4583, DOI: 10.1039/A904051J.
P. Novotny and O. Söhnel. J. Chem. Eng. Data, 1988, 33, 49, DOI: 10.1021/je00051a018.
OriginPro 7.5. OriginLab Corporation: USA, 1991-2003.
G. Johansson and M. Sandstrom. Chem. Scripta, 1973, 4, 195.
M. Alves Marques, M. I. Cabaço, M. I. de Barros Marques, and A. M. Gaspar. J. Phys.: Condens. Matter., 2002, 14, 7427.
G. Paschina, G. Piccaluga, G. Pinna, and M. Magini. J. Chem. Phys., 1983, 78, 5745, DOI: 10.1063/1.445457.
R. J. Wilcox, P. B. Losey, J. C. W. Folmer, J. D. Martin, M. Zeller, and R. Sommer. Inorg. Chem., 2015, 54, 1109, DOI: 10.1021/ic5024532.
E. Cauët, S. A. Bogatko, E. J. Bylaska, and J. H. Weare. Inorg. Chem., 2012, 51, 10856, DOI: 10.1021/ic301346k.
M. Busato, A. Melchior, V. Migliorati, A. Colella, I. Persson, G. D. Mancini, Veclani, and P. DAngelo. Inorg. Chem., 2020, 59, 17291, DOI: 10.1021/acs.inorgchem.0c02494.
E. Duboué-Dijon, P. E. Mason, H. E. Fischer, H. E. Fischer, and P. Jungwirth. J. Phys. Chem. B, 2018, 122, 3296, DOI: 10.1021/acs.jpcb.7b09612.
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The reported study was funded by RFBR and Ivanovo Region, project number 20-43-370001.
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Russian Text © The Author(s), 2021, published in Zhurnal Strukturnoi Khimii, 2021, Vol. 62, No. 7, pp. 1098-1104.https://doi.org/10.26902/JSC_id76124
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Smirnov, P.R., Grechin, O.V. STRUCTURE OF THE IMMEDIATE ENVIRONMENT OF IONS IN ZINC CHLORIDE AQUEOUS SOLUTIONS ACCORDING TO XRD DATA. J Struct Chem 62, 1020–1026 (2021). https://doi.org/10.1134/S0022476621070052
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DOI: https://doi.org/10.1134/S0022476621070052