Redor in IS1S2 systems.
作者： Jörg Leppert , Bert Heise , Ramadurai Ramachandran
关键词: Solid-state nuclear magnetic resonance 、 Heteronuclear molecule 、 Spin (physics) 、 Principal axis theorem 、 Chemistry 、 Euler angles 、 Orientation (geometry) 、 Nuclear magnetic resonance 、 Tensor 、 Spins 、 Molecular physics
摘要: An approach to the determination of 2-(13)C' chemical shift (CS) tensor orientation in pyrimidine bases via heteronuclear MAS NMR spectroscopy is presented. Considering a dipolar coupled spin 1/2 network type S1-I-S2 consisting directly bonded spins, we have carried out numerical simulations assess sensitivity I-S REDOR spinning sidebands Euler angles defining I-S1 and I-S2 vectors I CS principal axes system. Our investigations clearly demonstrate potential studies IS1S2 systems for obtaining with high reliability accuracy molecular frame spanned by two internuclear I-S2. The significant contribution observed sideband intensities from anti-phase operator terms which are present at start data acquisition illustrated. procedure recording analysis spectra presented measurement polycrystalline sample [1,3-(15)N2, 2-(13)C] uracil, one four RNA, experimentally demonstrated.
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