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Volumn 22, Issue 14-17, 2003, Pages 2209-2213

Redox-based spin diversity: A reversible topological spin switching in oxophenalenoxyl systems

Author keywords

Charge fluctuation; Density functional calculation; Oxophenalenoxyl; Radical dianion; Redox based spin diversity; Spin structure

Indexed keywords

3 OXOPHENALENOXYL RADICAL; 6 OXOPHENALENOXYL RADICAL; OXOPHENALENOXYL RADICAL; POTASSIUM; RADICAL; UNCLASSIFIED DRUG;

EID: 0041804300     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0277-5387(03)00196-7     Document Type: Conference Paper
Times cited : (13)

References (28)
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    • note
    • The synthesis of 3-hydroxyphenalenone 5 was carried out by the standard procedure; see, Ref. [6].
  • 25
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    • note
    • The spin density distribution of the 3-oxophenalenoxyl derivative 2 was determined by ESR measurement and a simple HMO-McLachlan calculation, indicating that the spin density of the 3-oxophenalenoxyl system is dominantly delocalized on the carbon atom at 2-position and two oxygen atoms; see: Ref. [6]. The generation and the characterization of a 5,8-di-tert-butylated 3-oxophenalenoxyl derivative are in progress.
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    • note
    • In a 6-oxophenelenoxyl neutral radical system, the resonance structures keeping a benzene ring in the phenalenyl skeleton show the important contributions in all resonance structures calculated by VB method in terms of MO calculations; see: Ref. [4b].


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