Fig. 2: Synthesis and structure of B(4)-centered o-carboranyl magnesium 1.
From: Synthesis, reactivity and nucleophilicity of carboranyl-B-Mg compound
A Synthetic route of 1. B Single crystal X-ray structure of 1. H atoms and the methyl groups of iPr were omitted for clarity; thermal ellipsoids are set at the 50% probability level; selected bond distances (Å) and angles (°): Mg(1)–B(4) 2.325(3), Mg(1)–N(1) 2.100(2), Mg(1)–N(2) 2.090(2), Mg(1)–N(3) 2.160 (2), N(2)–Mg(1)–N(1) 90.39(8), N(2)–Mg(1)–N(3) 100.28(9), N(1)–Mg(1)–N(3) 103.74(9), N(2)–Mg(1)–B(4) 122.54(11), N(1)–Mg(1)–B(4) 127.00(11), and N(3)–Mg(1)–B(4) 108.63(11). C HOMO of 1 calculated at B3LYP/6-311 + G (d, p) level of theory.
