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  A Three-State Model for the Polymorphism in Linear Tricobalt Compounds

Pantazis, D. A., & McGrady, J. E. (2006). A Three-State Model for the Polymorphism in Linear Tricobalt Compounds. Journal of the American Chemical Society, 128(12), 4128-4135. doi:10.1021/ja0581402.

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 Creators:
Pantazis, Dimitrios A.1, Author              
McGrady, John E.2, Author
Affiliations:
1Department of Chemistry, University of York, Heslington, York YO10 5DD, U.K., ou_persistent22              
2WestCHEM, Department of Chemistry, UniVersity of Glasgow, Glasgow G12 8QQ, U. K., ou_persistent22              

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 Abstract: The remarkable polymorphism exhibited by the linear tricobalt compounds, Co33-dpa)4Cl2 and Co33-dpa)4Br2, can be explained using a model involving three distinct electronic states. At high temperatures, symmetric and unsymmetric forms arise from the population of doublet (2A) and quartet (4B) states, respectively, the latter containing a localized high-spin CoII center. In the unsymmetric form, a reduction in temperature leads to a spin-crossover to a second quite distinct doublet state, 2B, where, uniquely, the dx2-y2 character on the localized CoII center is distributed between the occupied and vacant manifolds. The variable population of the Co dx2-y2 orbital gives rise to the continuous change in Co−Co and Co−N bond lengths as the temperature is decreased.

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Language(s): eng - English
 Dates: 2005-11-302006-03-01
 Publication Status: Published in print
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/ja0581402
 Degree: -

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Title: Journal of the American Chemical Society
  Other : JACS
  Abbreviation : J. Am. Chem. Soc.
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 128 (12) Sequence Number: - Start / End Page: 4128 - 4135 Identifier: ISSN: 0002-7863
CoNE: https://pure.mpg.de/cone/journals/resource/954925376870