Teitl: Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a eynamic coordination sphere

Dyfyniad
Bahili MA, Stokes EC, Amesbury RC, et al. (2019). Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a eynamic coordination sphere. Cardiff University. https://doi.org/10.17035/d.2019.0069570379

Manylion y Set Ddata

Cyhoeddwr: Cardiff University

Dyddiad (y flwyddyn) pryd y daeth y data ar gael i'r cyhoedd: 2019

Fformat y data: .xlsx, .out, .hkl, .fid

Meddalwedd ofynnol: Microsoft Excel
Gaussview or other computational chemistry viewer
X-ray crystallography program, e.g. SHELX
NMR processing program, e.g. iNMR, TOPSPIN

Amcangyfrif o gyfanswm maint storio'r set ddata: Less than 100 gigabytes

DOI : 10.17035/d.2019.0069570379

DOI URL: http://doi.org/10.17035/d.2019.0069570379

Disgrifiad

Earth-abundant main group metals are inherently labile, which has hitherto hindered their use in catalysis. In the present paper, we show that such lability can actually be exploited, by providing a dynamic coordination sphere that promotes the aluminum-catalyzed synthesis of isocyanurates. Isocyanurates find widespread use in building insulation and in the coatings industry and are prepared by the nucleophile-catalyzed trimerization of isocyanates, yet high catalyst loadings and substantially elevated temperatures are generally required. For the first time we report a highly active catalyst that trimerizes alkyl, allyl and aryl isocyanates, and di-isocyanates, with low catalyst loadings under mild conditions, based on aluminum bearing a hemi-labile pyridyl-bis(iminophenolate) ligand.

Dataset contains raw unprocessed data (the processed data were given in the supplementary information relating to the publication) as follows:

NMR spectroscopic data of metal complexes and catalysis products

Computational chemistry data (output files)

X-ray diffraction data for metal complexes and catalysis products

Infrared spectroscopic data for catalysis products

Mass spectrometry data for metal complexes and catalysis products.

Research results based upon these data are published at http://doi.org/10.1039/C9CC03339D