Title: Synthesis and reactivity of N,N’-1,4-diazabutadiene derived borocations

Citation
Lawson JR, Wilkins LC, André M, et al. (2017). Synthesis and reactivity of N,N’-1,4-diazabutadiene derived borocations. Cardiff University. https://doi.org/10.17035/d.2017.0011648832

Dataset Details

Publisher: Cardiff University

Date (year) of data becoming publicly available: 2017

Coverage start date: 01/03/2016

Coverage end date: 30/09/2016

Data format: .pdf, .cif

Software Required: NMR software e.g. MNova
Structure determination/visualisation software e.g. Mercury
Avogadro Software for visualisation of theoretical calculations/

Estimated total storage size of dataset: Less than 100 megabytes

DOI : 10.17035/d.2017.0011648832

DOI URL: http://doi.org/10.17035/d.2017.0011648832

Related URL: http://gow.epsrc.ac.uk/NGBOViewGrant.aspx?GrantRef=EP/N02320X/1

Description

A series of borocations have been synthesised from the addition of haloboranes to synthetically accessible N,N′-1,4-diazabutadiene precursors, which are derived from commercially available anilines. The Experimental, X-ray, NMR and computational data are provided. X-ray data are included here which can be visualized using software for X-ray crystal structure determination/visualization which was used to characterise the compounds synthesised. Computation studies by DFT are included.

Results based upon these data are published at http://doi.org/10.1039/c6dt03360a