50349-84-3Relevant academic research and scientific papers
Isolation of crystals of a planar nitronyl nitroxide radical: 2-phenylbenzimidazol-1-yl N,N′-dioxide (PBIDO)
Kusaba, Yoshio,Tamura, Masafumi,Hosokoshi, Yuko,Kinoshita, Minoru,Sawa, Hiroshi,Kato, Reizo,Kobayashi, Hayao
, p. 1377 - 1382 (1997)
A planar nitronyl nitroxide radical, 2-phenylbenzimidazol-1-yl N,N′-dioxide, has been isolated in a stable single crystal form. X-Ray analysis has shown that the radical molecules form a dimeric two-dimensional structure. The dominant magnetic interaction
Effect of substituents on spin density in benzimidazole nitronyl nitroxide radicals studied by electron spin resonance
Esat, Burak,Fidan, Ismail,Bahceci, Sumeyye,Yerli, Yusuf,Sari, Levent
experimental part, p. 641 - 650 (2010/06/21)
Several novel benzimidazole-3-oxide-1-oxyl radicals with substituents at 5 and/or 6 position were synthesized. The ESR analysis of nitrogen hyperfine coupling constants (hfccs) revealed that substituents at 5 and 6-position affect the spin density to greater extent than substituents on the phenyl ring at 2-position. Density functional theory calculations of nitrogen hfccs were performed using several different Pople type basis sets, as well as double and triple zeta quality individual gauge for localized orbital (IGLO-II, IGLO-III) and electron paramagnetic resonance (EPR-II, EPR-II) basis sets. Experimental and theoretical hfccs are compared.
Synthesis of neutral spin-delocalized electron acceptors for multifunctional materials
Dooley, Brynn M.,Bowles, Steven E.,Storr, Tim,Frank, Natia L.
, p. 4781 - 4783 (2008/03/14)
(Chemical Equation Presented) A new synthetic route to stable spin-delocalized radicals, annelated nitronyl nitroxides, has been developed on the basis of the condensation of benzofuroxan with aryl nitrones. The electronic structure of the resulting radic
