Synthesis and characterisation of new diphiosphatetrylenes
datasetposted on 01.01.2016 by K Izod, P Evans, PG Waddell, MR Probert
Datasets usually provide raw data for analysis. This raw data often comes in spreadsheet form, but can be any collection of data, on which analysis can be performed.
The data consist of (i) NMR spectra of the reported compounds (1H, 13C, 31P and 119Sn), including variable-temperature and solid-state spectra; (ii) UV-visible spectra of the germanium compounds in both THF and toluene; (iii) output files from DFT calculations on the stable ground-state geometries of the reported compounds, including optimisations, frequency calculations, GIAO NMR calculations, TD-DFT calculations and NBO analyses; crystallographic data.