Microwave spectrum, structure, and dipole moment of aminodiborane

Facile Synthesis of Aminodiborane and Inorganic Butane Analogue NH3BH2NH2BH3

“…Aminodiborane (NH 2 B 2 H 5 , 1 ), one of the oldest members of the borane family, was first found serendipitously in 1938 and then prepared through a tedious procedure using diborane gas at −130 °C with a low yield . Except for its structure determination, no further studies of its reactions or properties have been reported in the past 70 years, mostly because of its unavailability. It has been a challenging and long-sought goal to find a convenient preparation of 1 so this active chemical reagent can be applied in both organic and inorganic syntheses.…”

The ab initio Calculation of Nuclear Quadrupole Coupling Constants and their Comparison with Experiment

“…In order to compare calculations of EFG with NQR data, it is clear that either the environment of the molecule in question must be included, or the molecule must have no strong interactions with its neighbours in the lattice. In recent papers we have shown that differences between MW and NQR data can be quite well reproduced in H-bonded situations, by study of small groups of molecules at the X-ray structure [76]. This approach will no doubt be widely applied, but a further, and more exciting prospect is the use of recently developed ab initio codes (CRYS-TAL) for the calculation of the wave-function of a set of unit cells [10]; here the integrals are calculated in the repeating unit cell, until the values become smaller than a pre-set tolerance.…”

Mechanisms of the Reactions of B‐Substituted Amine Boranes with THF·BH3

“…Aminodiborane (ADB, BH 2 (µ‐H)(µ‐NH 2 )BH 2 , Figure ) was first formed serendipitously in 1938 and then prepared through a tedious procedure with a low yield , . During the last following few decades, although its structure was established unambiguously, intensive studies on this compound were not carried out extensively perhaps due to its instability and inaccessibility. In 2010, a facile method for the synthesis of ADB was developed by reacting ammonia borane (AB, NH 3 BH 3 ) with tetrahydrofuran borane (THFBH 3 ), which is also considered as a general method for the preparation of N‐substituted µ ‐aminodiborane .…”