Highly efficient Hydrogenative depolymerisation of Polycaprolactone to 1,6-hexanediol (dataset)

The folder named 'NMR' contains NMR spectra of the hydrogenation of polycaprolactones in the fid format. NMR spectra were recorded on a Bruker AVIII 500 MHz or AV 400 MHz NMR spectrometer at 298 K unless otherwise specified. Residual protons of solvent were used as a reference for 1H NMR spectra in deuterated solvent samples.

The folder named 'GPC' contains gel permeation chromatography data (in excel format) of the hydrogenation of polycaprolactones. Gel permeation chromatography (GPC) was performed on an Agilent 1260 InfinityLab II GPC fitted with a refractive index (RI) detector (35 °C). Two plus guard column Agilent PLgel-M 10 µm MIXEDB columns setup was contained within an oven (35 °C). THF was used as the eluent at a flow rate of 1.0 mL min−1. The calibration was conducted using a series of polystyrene (Mn = 1,000 – 423,000 g mol–1) standards purchased from Agilent Technologies.

The folder named GC-MS contains gas chromatography mass spectrometry data in pdf format for the hydrogenation of polycaprolactone.

The folder named DFT contains log files for the thermodynamics of caprolactone, 1,6-hexanediol and ethyl-6-hydroxy hexyl hexanoate.