Issue 2, 2021

Syntheses, formation mechanisms and structures of a series of linear diborazanes

Abstract

A series of linear diborazanes (R1R2R3NBH2NH2BH3, R1, R2, R3 = H, Me, Et, nPr, iPr) have been synthesized at room temperature by the reaction of aminodiborane (ADB) with alkylamine. Theoretical calculations demonstrate that the formation mechanism of the linear diborazanes is a one-step nucleophilic reaction, where the amine molecule approaches a B atom along a line nearly colinear with a B–Hbridging bond in the ADB, and the nucleophilic reaction is controlled by thermodynamics and can occur spontaneously. The crystal structure of the linear diborazanes is affected not only by the capped alkylamine, but also by the extensive dihydrogen bonds. Both anti and gauche conformations of the linear diborazanes are observed, which are stabilized by inter-/intramolecular DHBs.

Graphical abstract: Syntheses, formation mechanisms and structures of a series of linear diborazanes

Supplementary files

Article information

Article type
Paper
Submitted
17 Aug 2020
Accepted
16 Nov 2020
First published
16 Nov 2020

CrystEngComm, 2021,23, 404-410

Syntheses, formation mechanisms and structures of a series of linear diborazanes

H. Li, R. Wang, J. Kang, S. Li, A. Zhou, D. Han, H. Guan, D. J. Austin and Y. Yue, CrystEngComm, 2021, 23, 404 DOI: 10.1039/D0CE01196G

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