Syntheses, formation mechanisms and structures of a series of linear diborazanes. Issue 2 (27th November 2020)

• Record Type: Journal Article
• Authors: Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng
• Is Part Of: CrystEngComm. Volume 23:Issue 2(2021)
• Page Start: 404
• Page End: 410
• Publication Date: 2020-11-27
• Subjects: Crystals -- Periodicals; Crystal growth -- Periodicals; Crystallography -- Periodicals; Cristaux -- Périodiques; Cristaux -- Croissance -- Périodiques; Cristallographie -- Périodiques; 548
• DOI: 10.1039/d0ce01196g
• Languages: English
• ISSNs: 1466-8033

Abstract

Abstract : Both anti and gauche conformations are observed in the linear diborazanes, which are stabilized by inter- and intramolecular DHBs, respectively. Abstract : A series of linear diborazanes (R1 R2 R3 NBH2 NH2 BH3, R1, R2, R3 = H, Me, Et, n Pr, i Pr) 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.