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- W2104656796 abstract "By careful choice of reaction conditions 1-methylnaphtho[1,8-de]-1,2,3-triazine and 1,3-dimethylnaphtho[1,8-de]-1,2,3-triazinium triflate are readily prepared by the alkylation of 1H-naphtho[1,8-de]-1,2,3-triazine. The electronic spectra for these bathochromically shifted dyes are reported for a range of solvents as are their vibrational spectra and theoretical structures from density functional theory, B3LYP/6-311++G**. The 15N substitution into the middle nitrogen atom allows for the identification of strong azine bands in the IR and Raman spectra as well as in the 15N NMR spectrum. X-ray crystallography is used to characterize the solid-state structures of two of these new triazine derivatives and these structures are used to benchmark the theoretical and spectroscopic discussions. The corresponding 1,3-dimethyltriazinium radical is prepared and characterized by cyclic voltammetry, spectroelectrochemistry, and EPR spectroscopy. Unlike the related transient 1,2,4-triazene radicals, the 1,3-dimethyl-1,2,3-naphthotriazyl radical is markedly more stable." @default.
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- W2104656796 date "2012-03-13" @default.
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- W2104656796 title "Permethylated Salts and Radicals Derived from Azo peri-Naphthalenes" @default.
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- W2104656796 doi "https://doi.org/10.1002/cplu.201200021" @default.
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