An Empirical Equation to Transform ¹¹ B GIAO‐Calculated Absolute Shieldings ( <i>σ</i> , ppm) in Chemical Shifts ( <i>δ</i> , ppm)

Two empirical equations have been devised to transform absolute shieldings (GIAO) into chemical shifts. Both correlations are excellent, but that based on M06-2X/aug-cc-pVDZ calculations needs a correction term for chlorine-substituted boron compounds with B-Cl bonds. These equations have been tested against a collection of closoboranes, neutrals, and dianionic.