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  Cross-cluster transition-metal bonding in oblato-nido dimetallaboranes unveiled by topological analysis

Boucher, B., Halet, J.-F., & Kohout, M. (2015). Cross-cluster transition-metal bonding in oblato-nido dimetallaboranes unveiled by topological analysis. Computational & Theoretical Chemistry, 1068, 134-141. doi:10.1016/j.comptc.2015.06.029.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0028-47E0-F Version Permalink: https://hdl.handle.net/11858/00-001M-0000-002E-7F22-6
Genre: Journal Article

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 Creators:
Boucher, Benoît1, Author           
Halet, Jean-Francois2, Author
Kohout, Miroslav3, Author           
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2External Organizations, ou_persistent22              
3Miroslav Kohout, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863417              

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 Abstract: The bonding situation for the oblato-nido dimetallaboranes (CpV)(2)B5H11 and (Cp*T)(2)B5H5+x, where T= Ta, Cr, Mo, W, Re and Cp*= C5Me5, was analyzed using the corresponding model series with Cp* replaced by the cyclopentadienyl C5H5. The application of different bonding indicators revealed that both through-space and through-bond (via boron atoms of the ring) interactions account for a substantial metal-metal bond. (C) 2015 Elsevier B.V. All rights reserved.

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Language(s): eng - English
 Dates: 2015-06-062015-09-15
 Publication Status: Issued
 Pages: -
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 Table of Contents: -
 Rev. Type: -
 Identifiers: ISI: 000358807600020
DOI: 10.1016/j.comptc.2015.06.029
 Degree: -

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Title: Computational & Theoretical Chemistry
  Other : Computational and Theoretical Chemistry
  Abbreviation : Comput. Theor. Chem.
Source Genre: Journal
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Publ. Info: Amsterdam [u.a.] : Elsevier
Pages: - Volume / Issue: 1068 Sequence Number: - Start / End Page: 134 - 141 Identifier: CoNE: https://pure.mpg.de/cone/journals/resource/2210-271X