Electronic structure and geometries of o-carborane derived cyclic structures [{μ-1,2-(C2B10H10)nMn}Agm]z−, M = {Au, Hg}, n = {3, 4}, m = {0, 1, 2}, z = {n − m, −m}

Gabriel Aullón; Antonio Laguna; Josep M. Oliva

doi:10.1039/C2DT31047C

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Dalton Transactions

Issue 46, 2012

The international journal for inorganic, organometallic and bioinorganic chemistry

Impact Factor 3.838 48 Issues per Year Indexed in MEDLINE

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Electronic structure and geometries of o-carborane derived cyclic structures [{μ-1,2-(C₂B₁₀H₁₀)_nM_n}Ag_m]^z−, M = {Au, Hg}, n = {3, 4}, m = {0, 1, 2}, z = {n − m, −m}

Gabriel Aullón,^a Antonio Laguna^b and Josep M. Oliva*^c

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Departamento de Química Inorgànica and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Diagonal 647, Barcelona, Spain

Departamento de Química Inorgánica, Instituto de Ciencia de Materiales de Aragón, Universidad de Zaragoza-CSIC, Zaragoza, Spain

Instituto de Química-Física “Rocasolano”, Consejo Superior de Investigaciones Científicas, Serrano, 119, Madrid, Spain
E-mail: j.m.oliva@iqfr.csic.es

Dalton Trans., 2012,41, 14146-14150

DOI: 10.1039/C2DT31047C
Received 14 May 2012, Accepted 11 Sep 2012
First published online 11 Sep 2012

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To date, crystal structures of the cyclic mercury complexes [μ-1,2-(C₂B₁₀H₁₀)_nHg_n], with n = {3, 4}, have been found. However, the same structures substituting Hg by Au, which implies a charge z = {−3, −4} for n = {3, 4} respectively, have not been found. In this work, we present geometrical and electronic structure properties of the title structures [μ-1,2-(C₂B₁₀H₁₀)_nM_n]^z−, M = {Au, Hg}, n = {3, 4}, z = {n, 0}, and study the stability of structures with one and two added Ag⁺ ions.

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Dalton Transactions

Electronic structure and geometries of o-carborane derived cyclic structures [{μ-1,2-(C₂B₁₀H₁₀)_nM_n}Ag_m]^z−, M = {Au, Hg}, n = {3, 4}, m = {0, 1, 2}, z = {n − m, −m}

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Dalton Transactions

Electronic structure and geometries of o-carborane derived cyclic structures [{μ-1,2-(C2B10H10)nMn}Agm]z−, M = {Au, Hg}, n = {3, 4}, m = {0, 1, 2}, z = {n − m, −m}

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Electronic structure and geometries of o-carborane derived cyclic structures [{μ-1,2-(C₂B₁₀H₁₀)_nM_n}Ag_m]^z−, M = {Au, Hg}, n = {3, 4}, m = {0, 1, 2}, z = {n − m, −m}