561 39 9716 3 28121 document 9716 Dehydrative C-O_Data.zip application/zip bdcac84d7aa5cf17911fd4ad1a60f2bb MD5 41905276 2018-10-19 07:18:41 https://researchdata.bath.ac.uk/561/1/Dehydrative%20C-O_Data.zip 561 1 1 application/zip other Original, unprocessed data for novel compounds including 1H, 13C, 19F, and 11B NMR FID data, copies of mass spectrometry data, and copies of IR data. en public cc_by

Dehydrative C-O_Data.zip

data archive 9980 disk0/00/00/05/61 2019-01-22 12:02:55 2024-07-18 10:33:23 2019-01-22 12:02:55 data_collection show Estopina-Duran Susana susana.estopinaduran@uis.no University of St Andrews FALSE Donnelly Liam 0000-0003-3342-4902 University of St Andrews FALSE Mclean Euan Euan.McLean@glasgow.ac.uk University of St Andrews FALSE Hockin Bryony 0000-0002-4687-3806 University of St Andrews FALSE Slawin Alexandra M.Z. 0000-0002-9527-6418 University of St Andrews FALSE Taylor James J.E.Taylor@bath.ac.uk 0000-0002-0254-5536 University of Bath TRUE CA0010 CM0030 dept_chem The numbers of individual folders correspond to the compound numbers in the associated manuscript. Original, unprocessed data for all novel compounds in the associated paper. Data available includes 1H, 13C, 19F, and 11B Nuclear Magnetic Resonance (NMR) data, copies of mass spectrometry data, and copies of infra-red (IR) spectra. 2019-01-10 University of Bath public RightsHolder University of Bath Leverhulme Trust https://doi.org/10.13039/501100000275 ECF-2014-005 Early Career Fellowship - Catalytic Activation of Carboxylic Acids and Alcohols Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/L016419/1 EPSRC Centre for Doctoral Training in Critical Resource Catalysis – CRITICAT University of St Andrews https://doi.org/10.13039/501100000740 PhD studentship (Susana Estopina-Duran) Full experimental details for the preparation of each compound can be found the the Supplementary Information of the associated paper. Infrared spectra were recorded on a Shimadzu IRAffinity-1 Fourier transform IR spectrophotometer fitted with a Specac Quest ATR accessory (diamond puck). Spectra were recorded of either thin films or solids, with characteristic absorption wavenumbers (νmax) reported in cm–1. 1H, 13C{1H}, and 19F{1H} NMR spectra were acquired on either a Bruker AV300 with a BBFO probe (1H 300 MHz; 13C{1H} 75 MHz; 19F{1H} 282 MHz), a Bruker AV400 with a BBFO probe (1H 400 MHz; 13C{1H} 101 MHz; 19F{1H} 377 MHz), a Bruker AVII 400 with a BBFO probe (1H 400 MHz; 13C{1H} 101 MHz; 19F{1H} 376 MHz), a Bruker AVIII-HD 500 with a SmartProbe BBFO+ probe (1H 500 MHz, 13C{1H} 126 MHz, 19F{1H} 470 MHz, 11B 160 MHz), a Bruker AVIII 500 with a CryoProbe Prodigy BBO probe (1H 500 MHz, 13C{1H} 126 MHz, 19F{1H} 470 MHz, 11B 160 MHz) in the deuterated solvent stated. Mass spectrometry (m/z) data were acquired by either electrospray ionisation (ESI), chemical ionisation (CI), electron impact (EI), atmospheric solids analysis probe (ASAP), atmospheric pressure chemical ionization (APCI) or nanospray ionisation (NSI) at either the University of St Andrews Mass Spectrometry Facility ([A] quoted) or at the EPSRC UK National Mass Spectrometry Facility at Swansea University ([A]+ or [A]– quoted). IR spectra were processed using Shimadzu IRsolution FTIR control software. Final processed spectra are available as PDF files. NMR data were processed using MestReNova (v.11.0.2) available from Mestrelab Research S.L. Original unprocessed FID files and processed MestReNova files are available. Mass spectroscopy data was used as received from the managed facilities. The spectra are available as PDF files. 2016 2018 en 1 10.15125/BATH-00561 https://doi.org/10.1002/chem.201806057 pub open