Calculations of one-, two- and three-bond nuclear spin-spin couplings in a model peptide and correlations with experimental data

Indirect nuclear spin–spin coupling cons

Indirect nuclear spin–spin coupling constants in 1,2-diboretane-3-ylidene, a homoaromatic system with π and σ 3c/2e bonds. Comparison of experimental data with calculations using density functional theory (DFT)

✍ Bernd Wrackmeyer; Armin Berndt 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 182 KB 👁 1 views

## Abstract The non‐classical 1,2‐diboretane‐3‐ylidene **1a** was studied by ^13^C and ^29^Si NMR spectroscopy in order to obtain coupling constants ^1^__J__(^13^C,^11^B) and ^1^__J__(^29^Si,^13^C). The magnitudes of ^1^__J__(^13^C,^11^B) were deduced from linewidth measurements in low‐temperature