99
Views
0
CrossRef citations to date
0
Altmetric
Original Articles

HCN exchange on [Cu(HCN)4]+: a quantum chemical investigation

, , , , &
Pages 2185-2194 | Received 24 Aug 2013, Accepted 26 Jun 2014, Published online: 04 Aug 2014

References

  • H.-D. Belitz, W. Grosch, P. Schieberle. Lehrbuch der Lebensmittelchemie [Food chemistry], 6. Auflage, Springer, Berlin (2008).
  • (a) M.L. Turski, D.J. Thiele. J. Biol. Chem., 284, 717 (2009); (b) B. Kim, T. Nevitt, D.J. Thiele. Nat Chem Biol., 4, 176 (2008); (c) J.R. Prohaska, A.A. Gybina. J. Nutr., 134, 1003 (2004).10.1074/jbc.R800055200
  • (a) J.M. McCord, I. Fridovich. J. Biol. Chem., 244, 6049 (1969); (b) I.A. Abreu, D.E. Cabelli. Biochim. Biophys. Acta, 1804, 263 (2010); (c) V.C. Culotta, L.W.J. Klomp, J. Strain, R.L.B. Casareno, B. Krems, J.D. Gitlin. J. Biol. Chem., 272, 23469 (1997).
  • (a) K.D. Ivy, J.H. Kaplan. Mol. Pharmacol., 83, 1237 (2013); (b) T. Tsukihara, H. Aoyama, E. Yamashita, T. Tomizaki, H. Yamaguchi, K. Shinzawa-Itoh, R. Nakashima, R. Yaono, S. Yoshikawa. Science, 272, 1136 (1996).10.1124/mol.113.085068
  • M. Pawelec, G. Stochel, R. van Eldik. Dalton Trans., 292 (2004).
  • S. Krupanidhi, A. Sreekumar, C.B. Sanjeevi. Indian J. Med. Res., 128, 448 (2008).
  • (a) B.E. Kim, T. Nevitt, D.J. Thiele. Nat. Chem. Biol., 4, 176 (2008); (b) I. Bertini, H.B. Gray, E. Stiefel, J.S. Valentine. Biological Inorganic Chemistry, University Science Books, Sausalito, CA (2007); (c) S.J. Lippard, J.M. Berg. Principles of Bioinorganic Chemistry, University Science Books, Mill Valley, CA (1994).
  • J. Aaseth, T.P. Flaten, O. Andersen. Scand. J. Gastroenterol., 42, 673 (2008).
  • S. Reymond, J. Cossy. Chem. Rev., 108, 5359 (2008).10.1021/cr078346g
  • F. Ullmann, J. Bielecki. Chem. Ber., 34, 2174 (1901).10.1002/(ISSN)1099-0682
  • F. Melcher, H. Wilken. Chem. Unserer Zeit, 47, 32 (2013).10.1002/ciuz.v47.1
  • (a) C.W. Tornøe, C. Christensen, M. Meldal. J. Org. Chem., 67, 3057 (2002); (b) V.V. Rostovtsev, L.G. Green, V.V. Fokin, B.K. Sharpless. Angew. Chem., Int. Ed., 41, 2596 (2002); (c) M. Meldal, Ch.W. Tornøe. Chem. Rev., 108, 2952 (2008); (d) B.T. Worrell, J.A. Malik, V.V. Fokin. Science, 340, 457 (2013).10.1021/jo011148j
  • T. Godau, S.M. Bleifuß, A.L. Müller, T. Roth, S. Hoffmann, F.W. Heinemann, N. Burzlaff. Dalton Trans., 6547 (2011).10.1039/c1dt10032g
  • M. Kanai, R. Wada, T. Shibuguchi, M. Shibasaki. Pure Appl. Chem., 80, 1055 (2008).
  • J.D. Egbert, C.S.J. Cazin. Catal. Sci. Technol., 3, 912 (2013).10.1039/c2cy20816d
  • H. Erras-Hanauer, T. Clark, R. van Eldik. Coord. Chem. Rev., 238–239, 233 (2003).10.1016/S0010-8545(02)00296-5
  • L. Helm, A.E. Merbach. Coord. Chem. Rev., 187, 151 (1999).10.1016/S0010-8545(99)90232-1
  • R. van Eldik. Studies in Inorganic Chemistry, Inorganic High Pressure Chemistry, Elsevier, Amsterdam (1986).
  • (a) L. Helm, A.E. Merbach. Coord. Chem. Rev., 187, 151 (1999); (b) A. Bottoni, C.Z. Lanza, G.P. Miscione, D. Spinell. 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).10.1016/S0010-8545(99)90232-1
  • (a) G. Jander, W. Klemm. Die Chemie in Wasserähnlichen Lösungsmitteln [Chemistry in water-like solvents], Springer-Verlag, Berlin (1949); (b) J. Jander, C. Lafrenz. Wasserähnliche Lösungsmittel [Water-like solvents], Springer-Verlag, Berlin (1968); (c) J. Jander, G. Tuerk. Chem. Ber., 95, 881 (1962); (d) G. Jander. Die Naturwiss., 39, 169 (1944); (e) G. Jander, B. Grüttner. Chem. Ber., 81, 102 (1948); (f) J. Jander, G. Tuerk. Chem. Ber., 95, 2314 (1962); (g) J. Jander, G. Tuerk. Chem. Ber., 98, 894 (1965); (h) I. Bako, T. Megyes, G. Palinkas. Chem. Phys., 316, 235 (2005).10.1007/978-3-662-21788-7
  • E. Pasgreta, R. Puchta, A. Zahl, R. van Eldik. Eur. J. Inorg. Chem., 1815 (2007).
  • R. Puchta, N. van Eikema Hommes, R. van Eldik. Helv. Chim. Acta, 88, 911 (2005).10.1002/(ISSN)1522-2675
  • R. Puchta, B.M. Alzoubi, R. van Eldik. Z. Anorg. Allg. Chem., 635, 1536 (2009).
  • R. Puchta, B.M. Alzoubi, R. van Eldik. Z. Anorg. Allg. Chem., 635, 434 (2009).10.1002/zaac.v635:3
  • R. Puchta, M. Galle, N. van Eikema Hommes, E. Pasgreta, R. van Eldik. Inorg. Chem., 43, 8227 (2004).10.1021/ic0487979
  • R. Puchta, R. van Eldik. Helv. Chim. Acta, 91, 1063 (2008).10.1002/hlca.v91:6
  • H. Hanauer, R. Puchta, T. Clark, R. van Eldik. Inorg. Chem., 46, 1112 (2007).10.1021/ic061284c
  • M. Hartmann, T. Clark, R. van Eldik. J. Am. Chem. Soc., 119, 7843 (1997).10.1021/ja970483f
  • A.D. Becke. Phys. Rev. A, 38, 3098 (1988).10.1103/PhysRevA.38.3098
  • J.P. Perdew. Phys. Rev. B, 33, 8822 (1986).10.1103/PhysRevB.33.8822
  • A.D. Becke. J. Phys. Chem., 97, 5648 (1993).10.1063/1.464913
  • C. Lee, W. Yang, R.G. Parr. Phys. Rev. B, 37, 785 (1988).10.1103/PhysRevB.37.785
  • P.J. Stephens, F.J. Devlin, C.F. Chabalowski, M.J. Frisch. J. Phys. Chem., 98, 11623 (1994).10.1021/j100096a001
  • (a) J.P. Perdew. In Electronic Structure of Solids ‘91, P. Ziesche, H. Eschrig (Eds.), pp. 11–20, Akademie Verlag, Berlin (1991); (b) J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais. Phys. Rev. B, 46, 6671 (1992); (c) J.P. Perdew, Y. Wang. Phys. Rev. B, 45, 13244 (1992); (d) J.P. Perdew, K. Burke, Y. Wang. Phys. Rev. B, 54, 16533 (1996); (e) K. Burke, J.P. Perdew, Y. Wang. In Electronic Density Functional Theory: Recent Progress and New Directions, J.F. Dobson, G. Vignale, M.P. Das (Eds.), Plenum (1998).
  • X. Xu, W.A. Goddard. Proc. Natl. Acad. Sci. USA, 101, 2673 (2004).10.1073/pnas.0308730100
  • (a) J.P. Perdew, K. Burke, M. Ernzerhof. Phys. Rev. Lett., 77, 3865 (1997); (b) J.P. Perdew, K. Burke, M. Ernzerhof. Phys. Rev. Lett., 78, 1396 (1997).
  • Y. Zhao, D.G. Truhlar. Theor. Chem. Acc., 120, 215 (2008).10.1007/s00214-007-0310-x
  • (a) M. Head-Gordon, J.A. Pople, M.J. Frisch. Chem. Phys. Lett., 153, 503 (1988); (b) S. Saebø, J. Almlöf. Chem. Phys. Lett., 154, 83 (1989); (c) M.J. Frisch, M. Head-Gordon, J.A. Pople. Chem. Phys. Lett., 166, 275 (1990); (d) M.J. Frisch, M. Head-Gordon, J.A. Pople. Chem. Phys. Lett., 166, 281 (1990); (e) M. Head-Gordon, T. Head-Gordon. Chem. Phys. Lett., 220, 122 (1994).10.1016/0009-2614(88)85250-3
  • W.J. Hehre, L. Radom, P. von Ragué Schleyer, J. Pople. Ab initio Molecular Orbital Theory, John Wiley & Sons, New York (1986).
  • J.A. Pople, M. Head-Gordon, K. Raghavachari. J. Chem. Phys., 87, 5968 (1987).10.1063/1.453520
  • (a) A. Schäfer, H. Horn, R. Ahlrichs. J. Chem. Phys., 97, 2571 (1992); (b) A. Schaefer, C. Huber, R. Ahlrichs. J. Chem. Phys., 100, 5829 (1994).10.1063/1.463096
  • (a) T.H. Dunning Jr, P.J. Hay. In Modern Theoretical Chemistry: Methods of Electronic Structure Theory, H.F. Schaefer III (Ed.), Chap. 1, Vol. 3, Plenum, New York (1977); (b) P.J. Hay, W.R. Wadt. J. Chem. Phys., 82, 270 (1985); (c) P.J. Hay, W.R. Wadt. J. Chem. Phys., 82, 284 (1985); (d) P.J. Hay, W.R. Wadt. J. Chem. Phys., 82, 299 (1985).
  • M. Dolg, X. Cao. Chem. Rev., 112, 403 (2012).10.1021/cr2001383
  • S. Huzinaga (Ed.), Gaussian Basis Sets for Molecular, Elsevier, Amsterdam (1984).
  • T. Clark, J. Chandrasekhar, G.W. Spitznagel, P. von Ragué Schleyer. J. Comp. Chem., 4, 294 (1983).10.1002/(ISSN)1096-987X
  • (a) V. Barone, M. Cossi. J. Phys. Chem. A, 102, 1995 (1988); (b) M. Cossi, N. Rega, G. Scalmani, V. Barone. J. Comput. Chem., 24, 669 (2003).
  • (a) S.F. Boys, F. Bernardi. Mol. Phys., 19, 553 (1970); (b) S. Simon, M. Duran, J.J. Dannenberg. J. Chem. Phys., 105, 11024 (1996).10.1080/00268977000101561
  • 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 Inc, Wallingford, CT (2009).
  • D.S. Gill, R. Singh, D.S. Rana, J. Wagler, E. Kroke. Z. Naturforsch., B, 66, 1042 (2011).10.5560/ZNB.2011.66b1042
  • J.M. Knaust, D.A. Knight, S.W. Keller. J. Chem. Cryst., 33, 813 (2003).10.1023/A:1027445410426
  • J. Irangu, M.J. Ferguson, R.B. Jordan. Inorg. Chem., 44, 1619 (2005).10.1021/ic048614i
  • J.M. Knaust, D.A. Knight, S.W. Keller. J. Chem. Cryst., 33, 813 (2003).10.1023/A:1027445410426
  • G.A. Bowmaker, D.S. Gill, B.W. Skelton, N. Somers, A.H. White. Z. Naturforsch., B, 59, 1307 (2004).
  • F.P. Rotzinger. Chem. Rev., 105, 2003 (2005).10.1021/cr030715v
  • F.P. Rotzinger. J. Am. Chem. Soc., 118, 6760 (1996).10.1021/ja960184a
  • F.P. Rotzinger. J. Am. Chem. Soc., 119, 5230 (1997).10.1021/ja9635950
  • (a) J.A. Dean. Lange’s Handbook of Chemistry, 5th Edn, McGraw-Hill, New York, NY (1999); (b) R.D. Shannon, C.T. Prewitt. Acta Crystallogr. B, 25, 925 (1969); (c) R.D. Shannon. Acta Crystallogr. B, 26, 1046 (1970); (d) R.D. Shannon. Acta Crystallogr. A, 32, 751 (1976).
  • F.A. Cotton, G. Wilkinson, C.A. Murillo, M. Bochmann. Advanced Inorganic Chemistry, 6th Edn, John Wiley & Sons, New York, NY, (1999).
  • B. Petrović, Ž.D. Bugarčić, A. Dees, I. Ivanović-Burmazović, F.W. Heinemann, R. Puchta, S.N. Steinmann, C. Corminboeuf, R. van Eldik. Inorg. Chem, 51, 1516 (2012).10.1021/ic201807a
  • R. Puchta, N. van Eikema Hommes. In The Hypothetical Complex [Cu(HCN)3]+, a Cu–N Distance of 1.97 Å is Computed at B3LYP/6-311+G**, unpublished.
  • (a) M. Reiher, O. Salomon, B.A. Hess. Theor. Chem. Acc., 107, 48 (2001); (b) O. Salomon, M. Reiher, B.A. Hess. J. Chem. Phys., 117, 4729 (2002); (c) C.J. Cramer. Essentials of Computational Chemistry: Theories and Models, 2nd Edn, John Wiley & Sons, Chichester, (2007); (d) H. Jacobsen, L. Cavallo. Phys. Chem. Chem. Phys., 6, 3747 (2004).
  • R. Puchta, E. Pasgreta, R. van Eldik. Adv. Inorg. Chem., 61, 523 (2009).10.1016/S0898-8838(09)00209-8

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.