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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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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DOI: https://doi.org/10.1007/430_2015_191
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