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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 117, 2019 - Issue 22: Learning from Disorder – A Tribute to Alan Soper
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Water and Aqueous Solutions

Revisiting the cobalt(II) hydration from molecular dynamics and X-ray absorption spectroscopy

Daniel Z. CaralampioDepartment of Physical Chemistry, University of Seville, Seville, SpainView further author information
,
Benjamin ReevesInstitut de Chimie de Nice, Université Côte d'Azur, CNRS, UMR 7272, Nice, FranceView further author information
,
Maria R. BecciaInstitut de Chimie de Nice, Université Côte d'Azur, CNRS, UMR 7272, Nice, FranceView further author information
,
José M. MartínezDepartment of Physical Chemistry, University of Seville, Seville, SpainView further author information
,
Rafael R. PappalardoDepartment of Physical Chemistry, University of Seville, Seville, SpainView further author information
,
Christophe den AuwerInstitut de Chimie de Nice, Université Côte d'Azur, CNRS, UMR 7272, Nice, FranceView further author information
&
Enrique Sánchez MarcosDepartment of Physical Chemistry, University of Seville, Seville, SpainCorrespondence[email protected]
View further author information
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Pages 3320-3328 | Received 08 May 2019, Accepted 19 Jul 2019, Published online: 07 Aug 2019

References

  • Y.H. Koo, Y.S. Yang and K.W. Song, Prog. Nucl. Ener. 74, 61 (2014). doi: 10.1016/j.pnucene.2014.02.013
  • K. Hain, T. Faestermann, N. Famulok, L. Fimiani, J. Gómez-Guzmán, G. Korschinek, F. Kortmann, C. Lierse, V. Gostomski and P. Ludwig, Nucl. Instrum. Methods Phys. Res. B 361, 505–509 (2015). doi: 10.1016/j.nimb.2015.04.018
  • J. Barthel, H. Krienke and W. Kunz, Physical Chemistry of Electrolyte Solutions (Steinkopff, Darmstadt, 1998).
  • M. Maloubier, P.L. Solari, P. Moisy, M. Monfort, C. den Auwer and C. Moulin, Dalton Trans. 44, 5417–5427 (2015). doi: 10.1039/C4DT03547J
  • R. Akesson, L. Pettersson, M. Sandström and U. Wahlgren, J. Am. Chem. Soc. 116, 8691–8704 (1994). doi: 10.1021/ja00098a032
  • P. Bergström and J. Lindgren, Inorg. Chem. 31, 1529–1533 (1992). doi: 10.1021/ic00034a040
  • H. Gilson and M. Krauss, J. Phys. Chem. A 102, 6525–6532 (1998). doi: 10.1021/jp980163y
  • H. Ohtaki and T. Radnai, Chem. Rev. 83, 1157–1204 (1993). doi: 10.1021/cr00019a014
  • S.F. Levochkin, P.R. Smirnov and V.N. Trostin, Zh. Strukt. Khim. 75 (8), 1246–1251 (2004).
  • Y. Inada, H. Hayashi, K. Sugimoto and S. Funahashi, J. Phys. Chem. A 103, 1401–1406 (1999). doi: 10.1021/jp983799y
  • C. Chen and K. Hayes, Geochim. Cosmochim. Acta 63 (19/20), 3205–3215 (1999). doi: 10.1016/S0016-7037(99)00245-8
  • P. D'Angelo, V. Barone, G. Chillemi, N. Sanna, W. Meyer-Klauche and N.V. Pavel, J. Am. Chem. Soc. 124, 1958–1967 (2002). doi: 10.1021/ja015685x
  • P. D'Angelo, M. Benfatto, S.D. Longa and N. Pavel, Phys. Rev. B 66, 064209(1)–064209(7) (2002).
  • M. Benfatto and S. Della Longa, J. Synchrotron Rad. 8, 1087–1094 (2001). doi: 10.1107/S0909049501006422
  • R. Armunanto, C. Schwenk, A. Bambang and B. Rode, Chem. Phys. 295, 63–70 (2003). doi: 10.1016/j.chemphys.2003.08.006
  • R. Spezia, M. Duvail, P. Vitorge, T. Cartailler, J. Tortajada, G. Chillemi and P. D'Angelo, J. Phys. Chem. A 110, 1381–13088 (2006).
  • E. Galbis, J. Hernández-Cobos, C. den Auwer, C.L. Naour, D. Guillaumont, E. Simoni, R.R. Pappalardo and E. Sánchez Marcos, Angew. Chem. Int. Ed. 22, 3811–3815 (2010). doi: 10.1002/anie.200906129
  • E. Galbis, J. Hernández-Cobos R.R. Pappalardo, and E. Sánchez Marcos, J. Chem. Phys. 140, 214104(1)–214104(11) (2014). doi: 10.1063/1.4879549
  • J.M. Martínez, R.R. Pappalardo and E. Sánchez Marcos, J. Am. Chem. Soc. 121, 3175–3184 (1999). doi: 10.1021/ja9830748
  • D.Z. Caralampio, J.M. Martínez, R.R. Pappalardo and E. Sánchez Marcos, Theor. Chem. Acc. 136 (47), 1–8 (2017).
  • M. Dolg, U. Wedig, H. Stoll and H. Preuss, J. Phys. Chem. 86 (866), 1998 (1998).
  • J.M.L. Martin and A. Sundermann, J. Chem. Phys. 114, 3408 (2001). doi: 10.1063/1.1337864
  • M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski and D.J. Fox, Gaussian 09 Revision D.01 (Gaussian Inc., Wallingford, CT, 2009).
  • A. Villa, B. Hess and H. Saint-Martin, J. Phys. Chem. B 113, 7270–7281 (2009). doi: 10.1021/jp8097445
  • H. Saint-Martin, J. Hernández-Cobos, M.I. Bernal-Uruchurtu, I. Ortega-Blake and H.J.C. Berendsen, J. Chem. Phys. 113, 10899–10912 (2000). doi: 10.1063/1.1324711
  • W. Smith, T. Forester and I.T. Todorov, The DL_POLY Classic (STFC Daresbury Laboratory, Daresbury, 2012).
  • S. Díaz-Moreno, A. Muñoz-Páez, J.M. Martínez, R.R. Pappalardo and E. Sánchez Marcos, J. Am. Chem. Soc. 118, 12654–12664 (1996). doi: 10.1021/ja9608149
  • B. Ravel and M. Newville, J. Synchrotron Rad. 12, 537–541 (2005). doi: 10.1107/S0909049505012719
  • S. Zabinsky, J. Rehr, A. Ankudinov, R. Albers and M. Eller, Phys. Rev. B 52, 2995–3009 (1995). doi: 10.1103/PhysRevB.52.2995
  • J.J. Rehr, J.J. Kas, F.D. Vila, M.P. Prange and K. Jorissen, Phys. Chem. Chem. Phys. 12, 5503–5513 (2010). doi: 10.1039/b926434e
  • P.J. Merkling, A. Muñoz-Páez and E. Sánchez Marcos, J. Am. Chem. Soc. 124, 10911–10920 (2002). doi: 10.1021/ja025729h
  • F. Carrera, F. Torrico, D.T. Richens, A. Muñoz-Páez, J.M. Martínez, R.R. Pappalardo and E. Sánchez Marcos, J. Phys. Chem. B 111, 8223–8233 (2007). doi: 10.1021/jp0713716
  • D.Z. Caralampio, J.M. Martínez, R.R. Pappalardo and E. Sánchez Marcos, Phys. Chem. Chem. Phys. 19, 28993–29004 (2017). doi: 10.1039/C7CP05346K
  • L. Helm and A. Merbach, Coord. Chem. Rev. 187, 151–181 (1999). doi: 10.1016/S0010-8545(99)90232-1
  • D.T. Richens, The Chemistry of Aqua Ions (John Wiley, Chichester, 1997).
  • I.C. Yeh and G. Hummer, J. Phys. Chem. B 108, 15873–15879 (2004). doi: 10.1021/jp0477147
  • Y. Marcus, Ions in Solution and their Solvation (John Wiley & Sons, New York, 2015).
  • G. Chilemi, P. D'Angelo, N.V. Pavel, N. Sanna and V. Barone, J. Am. Chem. Soc. 124 (9), 1968–1976 (2002). doi: 10.1021/ja015686p
  • H. Kanno, J. Phys. Chem. 92, 4232–4236 (1988). doi: 10.1021/j100325a047
  • B.J. Palmer, D.M. Pfund and J.L. Fulton, J. Phys. Chem. 100, 13393–13398 (1996). doi: 10.1021/jp960160q
  • L. Campbell, J. Rehr, G. Schenter, M. McCarthy and D. Dixon, J. Synchrotron. Rad. 6, 310–312 (1999). doi: 10.1107/S0909049598018202
  • F. Jalilehvand, D. Spangberg, P. Lindqvist-Reis, K. Hermansson, I. Persson and M. Sandström, J. Am. Chem. Soc. 123, 431–441 (2001). doi: 10.1021/ja001533a
  • H. Sakane, A. Muñoz-Páez, S. Díaz-Moreno, J.M. Martínez, R.R. Pappalardo and E. Sánchez Marcos, J. Am. Chem. Soc. 120, 10397–10401 (1998). doi: 10.1021/ja974142d
  • P.J. Merkling, A. Muñoz-Páez, J.M. Martínez, R.R. Pappalardo and E. Sánchez Marcos, Phys. Rev. B 64, 012201(1)–012201(4) (2001).
  • A. Muñoz-Páez, R.R. Pappalardo and E. Sánchez Marcos, J. Am. Chem. Soc. 117, 11710–11720 (1995). doi: 10.1021/ja00152a012
  • J.J. Rehr, J.J. Kas, M.P. Prange, A.P. Sorini, Y. Takimoto and F.D. Vila, C. R. Physique 10, 548–559 (2009). doi: 10.1016/j.crhy.2008.08.004
  • A. Bianconi, M. Dell'Ariccia, A. Gargano and C.R. Natoli, in Springer Series in Chemical Physics, edited by A. Bianconi, A. Incoccia and S. Stipcich (Springer-Verlag, Berlin, 1983), Vol. 27, pp. 57–61.
  • P.J. Merkling, A. Muñoz-Páez, R. Pappalardo and E. Sánchez Marcos, Phys. Rev. B 64, 092201(1)–092201(4) (2001).
  • P. D'Angelo, O.M. Roscioni, G. Chillemi, S. Della Longa and M. Benfatto, J. Am. Chem. Soc. 128, 1853–1858 (2006). doi: 10.1021/ja0562503

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