Scholars@Duke publication: Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I)

Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I)

Publication , Journal Article

Bikiel, DE; Ramallo-López, JM; Requejo, FG; Oña, OB; Ferraro, MB; Facelli, JC; Doctorovich, F

Published in: Polyhedron

February 1, 2011

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.

Duke Scholars

Author Julio Cesar Facelli Biostatistics & Bioinformatics, Division of Translational Bi ...

Published In

Polyhedron

DOI

10.1016/j.poly.2010.10.005

ISSN

0277-5387

Publication Date

February 1, 2011

Volume

Issue

Start / End Page

221 / 227

Related Subject Headings

Inorganic & Nuclear Chemistry
3403 Macromolecular and materials chemistry
3402 Inorganic chemistry
0399 Other Chemical Sciences
0306 Physical Chemistry (incl. Structural)
0302 Inorganic Chemistry

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MLA

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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. (2011). Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I). Polyhedron, 30(2), 221–227. https://doi.org/10.1016/j.poly.2010.10.005

Bikiel, D. E., J. M. Ramallo-López, F. G. Requejo, O. B. Oña, M. B. Ferraro, J. C. Facelli, and F. Doctorovich. “Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I).” Polyhedron 30, no. 2 (February 1, 2011): 221–27. https://doi.org/10.1016/j.poly.2010.10.005.

Bikiel DE, Ramallo-López JM, Requejo FG, Oña OB, Ferraro MB, Facelli JC, et al. Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I). Polyhedron. 2011 Feb 1;30(2):221–7.

Bikiel, D. E., et al. “Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I).” Polyhedron, vol. 30, no. 2, Feb. 2011, pp. 221–27. Scopus, doi:10.1016/j.poly.2010.10.005.

Bikiel DE, Ramallo-López JM, Requejo FG, Oña OB, Ferraro MB, Facelli JC, Doctorovich F. Formation of one dimensional linear chains by Ir-Ir bonds in cis-dicarbonyldichloroiridate (I). Polyhedron. 2011 Feb 1;30(2):221–227.

Published In

Polyhedron

DOI

10.1016/j.poly.2010.10.005

ISSN

0277-5387

Publication Date

February 1, 2011

Volume

Issue

Start / End Page

221 / 227

Related Subject Headings

Inorganic & Nuclear Chemistry
3403 Macromolecular and materials chemistry
3402 Inorganic chemistry
0399 Other Chemical Sciences
0306 Physical Chemistry (incl. Structural)
0302 Inorganic Chemistry