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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
Author(s) -
Chapyshev Sergei V.,
Korchagin Denis V.,
Grote Dirk,
Sander Wolfram
Publication year - 2019
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.4877
Subject(s) - chemistry , nitrene , electron paramagnetic resonance , photodissociation , spectroscopy , argon , paramagnetism , photochemistry , nuclear magnetic resonance , physics , organic chemistry , quantum mechanics , catalysis
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 ( D T = 1.000 cm −1 , E T = 0), triplet 2,4‐diazido‐3‐cyano‐5‐fluoropyridyl‐2‐nitrene ( D T = 1.043 cm −1 , E T = 0), triplet 2,6‐diazido‐3‐cyano‐5‐fluoropyridyl‐4‐nitrene ( D T = 1.128 cm −1 , E T = 0 cm −1 ), quintet 4‐azido‐3‐cyano‐5‐fluoropyridyl‐2,6‐dinitrene ( D Q = 0.211 cm −1 , E Q = 0.0532 cm −1 ), quintet 2‐azido‐3‐cyano‐5‐fluoropyridyl‐4,6‐dinitrene ( D Q = 0.208 cm −1 , E Q = 0.0386 cm −1 ), and septet 3‐cyano‐5‐fluoropyridyl‐2,4,6‐trinitrene ( D S = −0.1017 cm −1 , E S = −0.0042 cm −1 ) in a 38:4:7:22:14:4 ratio, respectively.