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- W2065963468 abstract "Oxidation of diaryldiamine 2, a tetrahydrodiazapentacene derivative, provides diarylnitroxide diradical 1 accompanied by an intermediate nitroxide monoradical and a multitude of isolable diamagnetic products. DFT-computed tensors for EPR spectra and paramagnetic (1)H NMR isotropic shifts for nitroxide diradical 1 show good agreement with the experimental EPR spectra in rigid matrices and paramagnetic (1)H NMR spectra in solution, respectively. Examination of the diamagnetic products elucidates their formation via distinct pathways involving C-O bond-forming reactions, including Baeyer-Villiger-type oxidations. An unusual diiminoketone structure and two spirocyclic structures of the predominant diamagnetic products are confirmed by either X-ray crystallography or correlations between DFT-computed and experimental spectroscopic data such as (1)H, (13)C, and (15)N NMR chemical shifts and electronic absorption spectra." @default.
- W2065963468 created "2016-06-24" @default.
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- W2065963468 date "2011-09-21" @default.
- W2065963468 modified "2023-10-17" @default.
- W2065963468 title "Oxidation of Annelated Diarylamines: Analysis of Reaction Pathways to Nitroxide Diradical and Spirocyclic Products" @default.
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- W2065963468 doi "https://doi.org/10.1021/jo2017923" @default.
- W2065963468 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21894931" @default.
- W2065963468 hasPublicationYear "2011" @default.
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