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Synthesis and characterisation of new diphiosphatetrylenes

dataset
posted on 01.01.2016, 00:00 by K Izod, P Evans, PG Waddell, MR Probert
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.

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