کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1408624 1501764 2013 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Single electron transfer between selectfluor and chloride: A mass spectrometric and theoretical study
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Single electron transfer between selectfluor and chloride: A mass spectrometric and theoretical study
چکیده انگلیسی
The reaction between 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis-tetrafluoroborate (selectfluor) and chloride has been studied experimentally and modeled computationally at the ab initio levels. Based on the interception experiments by electrospray ionization-mass spectrometry (ESI-MS), it is found that only 5,5-dimethyl-l-pyrroline N-oxide (DMPO) succeeds in trapping the chlorine free radical. This result indicates that the single electron transfer (SET) is likely to occur between selectfluor and chloride. According to the Marcus' theory, the activation and reaction free energies for this electron transfer have been calculated. The theoretical study shows that the electron transfer reaction is both thermodynamically and kinetically beneficial, which is consistent with the experiment.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1050, 24 October 2013, Pages 21-25
نویسندگان
,