13C Chemical Shifts and 1JCH Coupling Constants of Cytidine at Different χ Dihedrals Based on DFT Calculations

NMR spectroscopy in environmental chemis

NMR spectroscopy in environmental chemistry: 1H and 13C NMR chemical shift assignments of chlorinated dibenzothiophenes based on two-dimensional NMR techniques and ab initio MO and DFT/GIAO calculations

✍ Erkki Kolehmainen; Jari Koivisto; Vladimir Nikiforov; Mikael Peräkylä; Kari Tupp 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 71 KB 👁 2 views

1 H and 13 C NMR spectra for seven chlorinated dibenzothiophenes (DBTs) were measured. Complete 1 H and 13 C NMR chemical shift assignments for 2, 8-and 3,7-dichloro-and 2,3,6,8-, 2,3,7,8-and 2,4,6,8-tetrachloro congeners are based on z-gradient selected inverse (proton detected) two-dimensional het