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Bikiel, D.E.; Ramallo-López, J.M.; Requejo, F.G.; Oña, O.B.; Ferraro, M.B.; Facelli, J.C.; Doctorovich, F. "Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I)" (2011) Polyhedron. 30(2):221-227
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Abstract:

The particular electronic properties of K[IrCl2(CO) 2]H2O are related to its supramolecular structure. Despite the lack of a single-crystal X-ray structure, by means of a variety of powerful experimental and theoretical techniques such as IR, NMR, ESI-MS, EXAFS, DFT calculations and MGAC/CPMD predictions, we obtained geometrical parameters showing the formation of one dimensional linear chains of Ir-Ir with at least 12 Ir atoms. The Ir-Ir distance is 2.82 ± 0.01 , which is short enough to assume a metal-metal bond. Restricted optimization of smaller oligomers shows a twist angle of about 51°, suggesting that the monomers are placed parallel to one another in a helical arrangement that make a 360° turn after 8 units. © 2010 Published by Elsevier Ltd.

Registro:

Documento: Artículo
Título:Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I)
Autor:Bikiel, D.E.; Ramallo-López, J.M.; Requejo, F.G.; Oña, O.B.; Ferraro, M.B.; Facelli, J.C.; Doctorovich, F.
Filiación:Departamento de Química Inorgánica, Analítica y Química Física/INQUIMAE-CONICET, Universidad de Buenos Aires, Pabellón II, Buenos AIres, Argentina
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA-CONICET), Facultad de Ciencias Exactas, Universidad Nacional de la Plata, Diag. 113 y 64, 1900 La Plata, Argentina
Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires/ IFIBA, Pab. I (1428), Buenos Aires, Argentina
Center for High Performance Computing / Department of Biomedical Informatics, University of Utah, 155 South 1452 East, Salt Lake City, UT 84112-0190, United States
Palabras clave:1D; EXAFS; Iridium; Linear chains; Metal-metal bonds
Año:2011
Volumen:30
Número:2
Página de inicio:221
Página de fin:227
DOI: http://dx.doi.org/10.1016/j.poly.2010.10.005
Título revista:Polyhedron
Título revista abreviado:Polyhedron
ISSN:02775387
CODEN:PLYHD
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_02775387_v30_n2_p221_Bikiel

Referencias:

  • Lehn, J.M., Rees, C.W., (1982) Molecular Semiconductors, , Springer-Verlag New York
  • Carter, F., (1982) Molecular Electronic Devices, , Marcel Dekker New York
  • Bera, J.K., Dunbar, K.R., (2002) Angew. Chem., Int. Ed., 41, p. 4453
  • Williams, J.M., (1983) Adv. Inorg. Chem. Radiochem., 26, p. 235
  • Krogmann, K., (1969) Angew. Chem. Int. Ed., 8, p. 35
  • Ferraro, J.R., Williams, J.M., (1987) Introduction to Synthetic Electrical Conductors, , Academic Press San Diego
  • Ciriano, M.A., Sebastián, S., Oro, L.A., Tiripicchio, A., Camellini, M.T., Lahoz, F.J., (1988) Angew. Chem., Int. Ed., 27, p. 402
  • Tejel, C., Ciriano, M.A., Oro, L.A., (1999) Chem. Eur. J., 5, p. 1131
  • Tejel, C., Ciriano, M.A., López, J.A., Lahoz, F.J., Oro, L.A., (1998) Angew. Chem., Int. Ed., 37, p. 1542
  • Tejel, C., Ciriano, M.A., Villarroya, B.E., Gelpi, R., Lopez, J.A., Lahoz, F.J., Oro, L.A., (2001) Angew. Chem., Int. Ed., 40, p. 4084
  • Malatesta, L., Canziani, F., (1961) J. Inorg. Nucl. Chem., 19, p. 81
  • Cleare, M.J., Griffith, W.P., (1970) J. Chem. Soc. A, p. 2788
  • Ginsberg, A.P., Koepke, J.W., Hauser, J.J., West, K.W., Di Salvo, F.J., Sprinkle, C.R., Cohen, R.L., (1976) Inorg. Chem., 15, p. 514
  • Wysocka, M., Winkler, K., Stork, J.R., Balch, A., (2004) Chem. Matter, 16, p. 771
  • (1988) DBW3.2SA, p. 8711. , DBWS Rietveld Refinement Programs RE 8804
  • Rodriguez, J., (2000) Carvajal, Fullprof, , Version 2.4.4 Dec. 2000, ILLJRC
  • Winkler, K., Wysocka-Zolopa, M., Oleksicka, M.M., Rećko, K., Dobrzyński, L., Stork, J.R., Gussenhoven, E.M., Balch, A.L., (2008) Electrochim. Acta, 53, p. 7288
  • Tejel, C., Ciriano, M.A., Villarroya, B.E., López, J.A., Lahoz, F.J., Oro, L.A., (2003) Angew. Chem., Int. Ed., 42, p. 529
  • Cleare, M.J., Griffith, W.P., (1969) J. Chem. Soc. A, p. 372
  • Ravel, B., Newville, M., (2005) J. Synchrotron Radiat., 12, p. 537
  • Stern, E., Theory of EXAFS (1988) X-ray Absorption Principles, Applications, Techniques of EXAFS, SEXAFS and XANES
  • Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery Jr., J.A., Pople, J.A., (2004) Gaussian 03, , Revision E.01, Gaussian, Inc., Wallingford CT
  • Becke, A.D., (1988) Phys. Rev. A, 38, p. 3098
  • Burke, K., Perdew, J.P., Wang, Y., (1998) Electronic Density Functional Theory: Recent Progress and New Directions
  • Hay, P.J., Wadt, W.R., (1985) J. Chem. Phys., 82, p. 270
  • Hay, P.J., Wadt, W.R., (1985) J. Chem. Phys., 82, p. 299
  • Bazterra, V.E., Ferraro, M.B., Facelli, J.C., (2002) J. Chem. Phys., 116, p. 5984
  • Bazterra, V.E., Oña, O., Caputo, M.C., Ferraro, M.B., Fuentealba, P., Facelli, J.C., (2004) Phys. Rev. A, 69, p. 053202
  • Bazterra, V.E., Cuma, M., Ferraro, M.B., Facelli, J.C., (2005) J. Parallel Distrib. Comp., 65, p. 48
  • Iwamatsu, M., (2000) J. Chem. Phys., 112, p. 10976
  • Roberts, C., Johnston, R.L., Wilson, N.T., (2000) Theor. Chem. Acc., 104, p. 123
  • CPMD V3.9 Copyright IBM Corp 1990-2004, Copyright MPI fuer Festkoerperforschung Stuttgart, 1997, 2001; Oña, O., Bazterra, V.E., Caputo, M.C., Ferraro, M.B., Facelli, J.C., (2006) Mater. Res. Soc. Symp., p. 277. , 894-LL08-02
  • Oña, O., Molecular Simulations, , in press
  • Handgraaf, J.W., Reek, J.N.H., Meijer, E.J., (2003) Organometallics, 22, p. 3150
  • Senn, H.M., Blochl, P.E., Togni, A., (2000) J. Am. Chem. Soc., 122, p. 4098
  • Cheong, M., Schmid, R., Ziegler, T., (2000) Organometallics, 19, p. 1973
  • Spessard, G.O., Miessler, G.L., (1996) Organometallic Chemistry, , Prentice Hall
  • Elsenbroich, C., Salzer, A., (1992) Organometallics: A Concise Introduction, , VCH
  • Crabtree, R.H., (2001) The Organometallic Chemistry of the Transition Metals, , Wiley-Interscience
  • Browning, J., Goggin, P.L., Goodfellow, R.J., Norton, M.G., Rattray, A.J.M., Taylor, B.F., Mink, J., (1977) J. Chem. Soc., Dalton Trans., p. 2061
  • Di Salvo, F., Escola, N., Scherlis, D.A., Estrin, D.A., Bondía, C., Murgida, D., Ramallo-López, J.M., Doctorovich, F., (2007) Chem. Eur. J., 13, p. 8428
  • López-Boada, R., Karasiev, V., Liu, S., (1997) Chem. Phys. Lett., 270, p. 443
  • Goedecker, S., Hutter, J., Teter, M., (1996) Phys. Rev. B, 54, p. 1703
  • Reed, A.E., Weinstock, R.B., Weinhold, F., (1985) J. Chem. Phys., 83, p. 735
  • Rasmussen, P.G., Anderson, J.E., Bailey, O.H., Tamres, M., Bayón, J.C., (1985) J. Am. Chem. Soc., 107, p. 279
  • Huang, H., Rheingold, A.L., Hughes, R.P., (2009) Organometallics, 28, p. 1575
  • Einstein, F.W.B., Jones, R.H., Zhang, X., Yan, X., Nagelkerke, R., Sutton, D., (1989) J. Chem. Soc., Chem. Commun., p. 1424
  • Heinekey, D.M., Fine, D.A., Harper, T.G.P., Michel, S.T., (1995) Can. J. Chem., 73, p. 1116
  • Heinekey, D.M., Fine, D.A., Barnhart, D., (1997) Organometallics, 16, p. 2530
  • Patra, S.K., Rahaman, S.M.W., Majumdar, M., Sinha, A., Bera, J.K., (2008) Chem. Commun., p. 2511
  • Krogmann, K., Geserich, H.P., (1974) Extended Interactions between Metal Ions, ACS Symposium Series, 5, pp. 350-355. , Chapter 23

Citas:

---------- APA ----------
Bikiel, D.E., Ramallo-López, J.M., Requejo, F.G., Oña, O.B., Ferraro, M.B., Facelli, J.C. & Doctorovich, F. (2011) . Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I). Polyhedron, 30(2), 221-227.
http://dx.doi.org/10.1016/j.poly.2010.10.005
---------- CHICAGO ----------
Bikiel, D.E., Ramallo-López, J.M., Requejo, F.G., Oña, O.B., Ferraro, M.B., Facelli, J.C., et al. "Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I)" . Polyhedron 30, no. 2 (2011) : 221-227.
http://dx.doi.org/10.1016/j.poly.2010.10.005
---------- MLA ----------
Bikiel, D.E., Ramallo-López, J.M., Requejo, F.G., Oña, O.B., Ferraro, M.B., Facelli, J.C., et al. "Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I)" . Polyhedron, vol. 30, no. 2, 2011, pp. 221-227.
http://dx.doi.org/10.1016/j.poly.2010.10.005
---------- VANCOUVER ----------
Bikiel, D.E., Ramallo-López, J.M., Requejo, F.G., Oña, O.B., Ferraro, M.B., Facelli, J.C., et al. Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I). Polyhedron. 2011;30(2):221-227.
http://dx.doi.org/10.1016/j.poly.2010.10.005