Solid‐State Structures of Primary Long‐Chain Alkylamine Borane Adducts – Synthesis, Properties and Computational Analysis

Abstract Two new members of the amine boranes family are hexadecylamine borane C 16 H 33 NH 2 BH 3 (C16AB) and octadecylamine 18 35 (C18AB). They easily synthesized by reaction corresponding amines with dimethyl sulfide. Both white solids; they crystalline isostructural (monoclinic, s.g. P2 1 /a (No. 14)). Their successful synthesis has been verified molecular (FTIR, Raman, NMR) structural analyses as well computational calculations (e. g. Mulliken charges). These have also pointed out existence dihydrogen bonds between δ+ one molecule δ− another molecule. The thermal stability C16AB C18AB was studied. solids melts at 70–80 °C; 100 ca. 210 °C dehydrogenate while releasing 1.1‐1.4 wt% pure ; and, above °C, decompose in high extent. All these findings may open way to future works on self‐assembly, advanced materials hydrogen storage. This is discussed hereafter.