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Comparison of the Cr–Cr Quadruple and Quintuple Bonding Mechanisms

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The Chemical Bond II

Part of the book series: Structure and Bonding ((STRUCTURE,volume 170))

Abstract

A molecular orbital analysis of model unbridged complexes with Cr–Cr formal bond orders four and five is presented, based on density functional calculations. The orbital and symmetry analysis discloses a special type of δ bonding in the case of the [Cr2L4]2+ complexes that induces a significant bond shortening going from quadruple CrII–CrII to quintuple CrI–CrI bonds.

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Acknowledgments

This work was supported by the Spanish Ministerio de Economía y Competitividad (MINECO, project CTQ2011-23862-C02-01). A. F. thanks MINECO for a Ph.D. grant.

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Authors and Affiliations

  1. Departament de Química Inorgànica and Institut de Química Teòrica i Computacional, Universitat de Barcelona, Martí i Franquès 1-11, 08028, Barcelona, Spain

    Andrés Falceto & Santiago Alvarez

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  1. Andrés Falceto
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  2. Santiago Alvarez
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Correspondence to Santiago Alvarez .

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Editors and Affiliations

  1. University of Oxford, University of Oxford, Oxford, United Kingdom

    D. Michael P. Mingos

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Falceto, A., Alvarez, S. (2015). Comparison of the Cr–Cr Quadruple and Quintuple Bonding Mechanisms. In: Mingos, D. (eds) The Chemical Bond II. Structure and Bonding, vol 170. Springer, Cham. https://doi.org/10.1007/430_2015_191

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