کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7808511 1501661 2018 32 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Racemic crystals of trolox derivatives compared to their chiral counterparts: Structural studies using solid-state NMR, DFT calculations and X-ray diffraction
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Racemic crystals of trolox derivatives compared to their chiral counterparts: Structural studies using solid-state NMR, DFT calculations and X-ray diffraction
چکیده انگلیسی
Trolox C and its derivatives in enantiomerically pure and in racemic forms (R/S) were studied using NMR spectroscopy in solution and 13C CPMAS NMR in solid phase. The DFT GIPAW calculations of shielding constants provided reliable assignment of 13C resonances in the solid-state NMR spectra. This comparison of X-ray diffraction, CPMAS NMR data and DFT GIPAW calculations of racemic forms and pure enantiomers was conducted for the first time. Our results, particularly the solid-state NMR data for Trolox and Trolox esters, are discussed in relation to Wallach's rule.203
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1156, 15 March 2018, Pages 290-300
نویسندگان
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