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  On the Nature of the Bonding in 1:1 Adducts of O2

Pantazis, D. A., & McGrady, J. E. (2003). On the Nature of the Bonding in 1:1 Adducts of O2. Inorganic Chemistry, 42(24), 7734-7736. doi:10.1021/ic034867k.

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 Creators:
Pantazis, Dimitrios A.1, Author              
McGrady, John E.1, Author
Affiliations:
1Department of Chemistry, University of York, Heslington, York YO10 5DD, U.K., ou_persistent22              

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 Abstract: A survey of the potential energy surface for a 1:1 copper dioxygen complex, (C3N2H5)CuO2, reveals two distinct states in the valence region, a singlet (1A1) and a triplet (3B1). The former spans a continuum from CuIII−O22- to CuI−O2(1Δg), while the latter spans CuII−O21- to CuI−O2(3Σg-). The point at which the potential energy curves for the two states cross marks an abrupt discontinuity in electron distribution, where the system shifts from dominant CuIII−O22- character to CuII−O21-. On this basis, we argue that there is no continuum between CuIII−peroxide and CuII−superoxide:  the two are represented by distinct states that differ both in symmetry and multiplicity.

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Language(s): eng - English
 Dates: 2003-07-232003-11-072003-12-01
 Publication Status: Published in print
 Pages: 3
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/ic034867k
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Title: Inorganic Chemistry
  Abbreviation : Inorg. Chem.
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 42 (24) Sequence Number: - Start / End Page: 7734 - 7736 Identifier: ISSN: 0020-1669
CoNE: https://pure.mpg.de/cone/journals/resource/0020-1669