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  The electronic structure of the mixed-valence copper dimer [Cu2{N(CH2CH2N=CHCH=NCH2CH2)3N}]3+

Farrar, J. A., Grinter, R., Neese, F., Nelson, J., & Thomson, A. J. (1997). The electronic structure of the mixed-valence copper dimer [Cu2{N(CH2CH2N=CHCH=NCH2CH2)3N}]3+. Journal of the Chemical Society, Dalton Transactions, 1997(21), 4083-4088. doi:10.1039/A704392I.

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 Creators:
Farrar, Jacqueline A.1, Author
Grinter, Roger1, Author
Neese, Frank2, Author           
Nelson, Jane3, Author
Thomson, Andrew J.1, Author
Affiliations:
1School of Chemical Sciences, University of East Anglia, Norwich, UK NR4 7TJ, ou_persistent22              
2Fakultät für Biologie, Universität Konstanz, Konstanz, Germany, ou_persistent22              
3School of Chemistry, Queens University , Belfast, UK BT9 5AG, ou_persistent22              

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 Abstract: Fully delocalised mixed-valence (MV) copper dimers, {Cu+1.5, Cu+1.5}, have been identified both in proteins and in model complexes. An interpretation of the electronic transitions observed in the low-temperature magnetic circular dichroism and absorption spectra of one such dimer, [Cu2LimBT]3+, where LimBT=N(CH2CH2N=CHCH=NCH2CH2)3N, is presented. The spectrum is dominated by transitions within a set of energy levels derived from almost pure copper 3d orbitals of the [Cu2]3+ core. Limited ligand covalency is found. The MV transition energy has been used to elucidate the valence delocalisation energy which is compared with the delocalisation energies in thiolate bridged MV copper dimers. The delocalisation energy of 7100 cm–1 is almost entirely due to copper–copper σ overlap at a distance of 2.36 Å and represents a metal–metal bond (σ)2(σ *)1 with bond order 0.5.

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Language(s): eng - English
 Dates: 1997-11-01
 Publication Status: Issued
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1039/A704392I
 Degree: -

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Title: Journal of the Chemical Society, Dalton Transactions
  Abbreviation : J. Chem. Soc. Dalton Trans.
Source Genre: Journal
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Publ. Info: Royal Society of Chemistry
Pages: - Volume / Issue: 1997 (21) Sequence Number: - Start / End Page: 4083 - 4088 Identifier: CoNE: https://pure.mpg.de/cone/journals/resource/1477-9226