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EPR spectroscopy of multicomponent, multispin molecular system obtained by the photolysis of 2,4,6-triazido-3-cyano-5-fluoropyridine in solid argon.
Magn Reson Chem ; 57(8): 472-478, 2019 08.
Artigo em Inglês | MEDLINE | ID: mdl-30997697
ABSTRACT
Complex multicomponent, multispin molecular system, consisting of a septet trinitrene, two quintet dinitrenes, and three triplet mononitrenes, was obtained by the photolysis of 2,4,6-triazido-3-cyano-5-fluoropyridine in solid argon. To identify these paramagnetic products, electron paramagnetic resonance spectroscopy in combination with line-shape spectral simulations and density functional theory calculations was used. The products of the photolysis was found to be triplet 2,4-diazido-3-cyano-5-fluoropyridyl-6-nitrene (DT  = 1.000 cm-1 , ET  = 0), triplet 2,4-diazido-3-cyano-5-fluoropyridyl-2-nitrene (DT  = 1.043 cm-1 , ET  = 0), triplet 2,6-diazido-3-cyano-5-fluoropyridyl-4-nitrene (DT  = 1.128 cm-1 , ET  = 0 cm-1 ), quintet 4-azido-3-cyano-5-fluoropyridyl-2,6-dinitrene (DQ  = 0.211 cm-1 , EQ  = 0.0532 cm-1 ), quintet 2-azido-3-cyano-5-fluoropyridyl-4,6-dinitrene (DQ  = 0.208 cm-1 , EQ  = 0.0386 cm-1 ), and septet 3-cyano-5-fluoropyridyl-2,4,6-trinitrene (DS  = -0.1017 cm-1 , ES  = -0.0042 cm-1 ) in a 384722144 ratio, respectively.

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Texto completo: Disponível Coleções: Bases de dados internacionais Base de dados: MEDLINE Idioma: Inglês Revista: Magn Reson Chem Assunto da revista: Química Ano de publicação: 2019 Tipo de documento: Artigo País de afiliação: Federação Russa