Comparative analysis of NMR spectral parameters and molecular dynamics of 1:6‐anhydro‐3:4‐thia‐2‐O‐tosyl‐β‐D‐allopyranose and 1,6:3,4‐dianhydro‐2‐O‐tosyl‐β‐D‐galactopyranose in the solid phase
作者： Marek J. Potrzebowski , Sławomir Kaźmierski , Sebastian Olejniczak , Jan Heliński , Włodzimierz Ciesielski
DOI: 10.1002/POC.906
关键词:
摘要: A search of x-ray data for 1:6-anhydro-3:4-thia-2-O-tosyl-β-D-allopyranose (1) and 1:6,3:4-dianhydro-2-O-tosyl-β-D-galactopyranose (2) revealed two CH·O intermolecular contacts both compounds one CH·S interaction 1. Inspection hydrogen bonding showed that these interactions are stronger 2. The 13C relaxation times in the rotating frame,13C T*1ρ, measured at B1=36.7 kHz apparent differences internal molecular motion on kilohertz scale samples. PASS-2D experiment recorded a spinning rate 1 kHz was performed to establish values principal elements chemical shift tensors δii. DFT GIAO calculations shielding parameters were carried out orientations δii assigned. An attempt correlate NMR spectral dynamics solid state with structure, is presented. Copyright © 2005 John Wiley & Sons, Ltd.
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