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Articles

Mechanistic insight on the water exchange mechanism of [Zn(tren)H2O]2+ and related complexes from a DFT study

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Pages 573-586 | Received 18 Nov 2021, Accepted 24 Mar 2022, Published online: 28 Apr 2022

References

  • K.M. Hendrickson, J.P. Geue, O. Wyness, S.F. Lincoln, A.D. Ward. J. Am. Chem. Soc, 125, 3889(2003).
  • P. Coyle, P.D. Zalewski, J.C. Philcox, I.J. Forbes, A.D. Ward, S.F. Lincoln, I. Mahadevan, A.M. Rofe. J. Biochem., 303, 781(1994).
  • R. Williams. Polyhedron, 6, 61(1987).
  • (a) J.M. Berg, H.A. Godwin. Annu. Rev. Biophys. Biomol. Struct., 26, 357 (1997). (b) R.L. Wilson, in C.F. Mills (Ed.), Zinc in Human Biology, ILS Human Nutrition Reviews, Springer-Verlag, Berlin (1989), Ch. 10. (c) M.E.P. Murphy, S. Turley, M. Kukimoto, M. Nishiyama, S. Horinouchi, H. Sasaki, M. Tanokura, E.T. Adam. Biochemistry, 34, 12107 (1995). (d) K. Haensson, M. Carlsson, L.A. Svensson A. Liljas. J. Mol. Biol., 227, 1192 (1992). (e) Y. Kim, S.H. Eom, J. Wang, D.-S. Lee, S.W. Suh, T.A. Steitz. Nature, 376, 612 (1995).
  • M.M. Ibrahim, N. Shimomura, K. Ichikawa, M. Shiro. Inorg. Chim. Acta, 313, 125(2001).
  • J.E. Coleman. Zinc Enzymes, p. 49, Birkhauser, Boston, MA (1986).
  • A. Neuberger, K. Brocklehurst (Eds.), Hydrolytic Enzymes, Elsevier, Amsterdam (1987).
  • J.C. Mareque Rivas, R. Prabaharan, R. Torres, L. Metteau, S. Parsons. Dalton Trans, 2800(2004), and literature cited therein.
  • (a) J.W. Canary, J. Xu, J.M. Castagnetto, D. Rentzeperis, L.A. Marky. J. Am. Chem. Soc., 117, 11545 (1995). (b) X. Xu, A.R. Lajmi, J.W. Canary. J. Chem. Soc., Chem. Commun., 2701 (1998).
  • (a) J.A.M. Calvo, H. Vahrenkamp. Z. Anorg. Allg. Chem., 632, 1776 (2006). (b) G. Parkin. Chem. Rev., 104, 699 (2004). (c) C.E. MacBeth, B.S. Hammes, V.G. Young, A.S. Borovik. Inorg. Chem., 40, 4733 (2001). (d) T. Sato, H. Takeda, K. Sakai, T. Tsubomura. Inorg. Chim. Acta, 246, 413 (1996). (e) Y. Dussart, C. Harding, P. Dalgaard, C. McKenzie, R. Kadirvelraj, V. McKee, J. Nelson. J. Chem. Soc., Dalton Trans., 1704 (2002), and literature cited therein.
  • (a) L. Helm, A.E. Merbach. Coord. Chem. Rev., 187, 151 (1999). (b) A. Bottoni, C.Z. Lanza, G.P. Miscione, D. Spinelli. J. Am. Chem. Soc., 126, 1542 (2004). (c) K. Zhang, D.S. Auld. Biochemistry, 34, 16306 (1995). (d) C. Bergquist, H. Storrie, L. Koutcher, B.M. Bridgewater, R.A. Friesner, G. Parkin. J. Am. Chem. Soc., 122, 12651 (2000).
  • B.M. Alzoubi, M. Walther, R. Puchta, R. van Eldik. Dalton Trans, 41, 6932(2012).
  • B.M. Alzoubi, M. Walther, R. Puchta, R. van Eldik. Eur. J. Inorg. Chem, 2013, 2059(2013).
  • M. Hartmann, T. Clark, R. van Eldik. J. Am. Chem. Soc., 119, 7843(1997).
  • B.M. Alzoubi, R. Puchta, R. van Eldik. Z. Anorg. Allg. Chem., 635, 1536(2009).
  • (a) P.J. Stevens, F.J. Devlin, C.F. Chablowski, M.J. Frisch. J. Phys. Chem., 98, 11623 (1994). (b) A.D. Becke. J. Chem. Phys., 98, 5648 (1993). (c) C. Lee, W. Yang, R.G. Parr. Phys. Rev. B, 37, 785 (1988).
  • (a) M.D. Wodrich, C. Corminboeuf, P. von Ragué Schleyer. Org. Lett., 8, 3631 (2006). (b) P.R. Schreiner, A.A. Fokin, R.A. Pascal, A. de Meijere. Org. Lett., 8, 3635 (2006). (c) S. Grimme, M. Steinmetz, M.J. Korth. Org. Chem., 72, 2118 (2007). (d) M.D. Wodrich, C. Corminboeuf, P. Schreiner, A.A. Fokin, P. von Ragué Schleyer. Org. Lett., 9, 1851 (2007). [16898778]
  • P.R. Schreiner. Angew. Chem. Int. Ed. Engl., 46, 4217(2007).
  • P. Schreiner. Angew. Chem., 119, 4295(2007).
  • S.F. Sousa, E.S. Carvalho, D.M. Ferreira, I.S. Tavares, P.A. Fernandes, M.J. Ramos, J. Gomes. J. Comput. Chem., 30, 2752(2009).
  • E.A. Amin, D.G. Truhlar. J. Chem. Theory Comput., 4, 75(2008).
  • (a) R. Puchta, M. Galle, N. van Eikema Hommes, E. Pasgreta, R. van Eldik. Inorg. Chem., 43, 8227 (2004). (b) E. Pasgreta, R. Puchta, A. Zahl, R. van Eldik. Eur. J. Inorg. Chem., 1815 (2007). (c) E. Pasgreta, R. Puchta, M. Galle, N. van Eikema Hommes, A. Zahl, R. van Eldik. Chem. Phys. Chem., 8, 1315 (2007).
  • (a) R. Puchta, N.J.R. van Eikema Hommes, R. van Eldik. HCA, 88, 911 (2005). (b) R. Puchta, R. van Eldik. Z. Anorg. Allg. Chem., 634, 735 (2008). (c) R. Puchta, R. van Eldik. Helv. Chim. Acta, 91, 1063 (2008). (d) R. Puchta, R. van Eldik. Z. Anorg. Allg. Chem., 634, 1915 (2008). (e) M. Walther, C. Dücker-Benfer, R. Puchta. Z. Anorg. Allg. Chem., 637, 1736 (2011). (f) M. Walther, R. Puchta. RSC Adv., 2, 5815 (2012). (g) M. Walther, A. Budimir, R. Puchta. J. Coord. Chem., 65, 4359 (2012).
  • (a) R. Puchta, B.M. Alzoubi, R. van Eldik. Z. Anorg. Allg. Chem., 635, 434 (2009). (b) H. Hanauer, R. Puchta, T. Clark, R. van Eldik. Inorg. Chem., 46, 1112 (2007).
  • J.-D. Chai, M. Head-Gordon. Phys. Chem. Chem. Phys., 10, 6615(2008).
  • W.J. Hehre, L. Random, P. von Ragué Schleyer, J.A. Pople. Ab Initio Molecular Orbital Theory, Wiley, New York (1986).
  • (a) R. Bader, P. Popelier. Atoms in Molecules. A Quantum Theory, Clarendon Press, Oxford, U.K. (1994). (b) Atoms in Molecules. An Introduction, Prentice Hall, Harlow (2000).
  • T.A.; Keith. AIMAll (Version 10.11.04), TK Gristmill Software (2013).
  • (a) V. Barone, M. Cossi. J. Phys. Chem. A, 102, 1995 (1998). (b) M. Cossi, M. Rega, G. Scalmani, V. Barone. J. Comput. Chem., 24, 669 (2003).
  • M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, 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, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople. Gaussian 03, Revision B.03, Gaussian Inc., Wallingford, CT (2004).
  • 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, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox. Gaussian 09, Revision A.02, Gaussian, Inc., Wallingford, CT (2009).
  • N. Zheng, X. Bu, P. Feng. Chem. Commun., 2805(2005).
  • (a) H. Erras-Hanauer, T. Clark, R. van Eldik. Coord. Chem. Rev., 233, 238 (2003). (b) L. Helm, A.E. Merbach. Coord. Chem. Rev., 187, 151 (1999).
  • F.P. Rotzinger. J. Am. Chem. Soc., 118, 6760 (1996).
  • F.P. Rotzinger. J. Am. Chem. Soc., 119, 5230(1997).
  • T. Hosseinnejad, S. Dehghanpour, A. Hosseinjani. Comput. Theor. Chem., 1004, 31(2013).

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