The NMR facilities are housed in the Wolfson Suite of the Bedson Building, which is an air-conditioned, purpose-built laboratory together with offices for personnel and additional computing provision. At present, there are two main spectrometers and we should take delivery of a third within the next few months. Purpose-built software is available for simulation of NMR spectra.
Jeol Lambda (recently upgraded to Eclipse) 11.7 Tesla (1H at 500 MHz) spectrometer with auto-sampler and a range of 5 and 10 mm direct and inverse observation probes covering virtually all NMR-active nuclei, including 103Rh, 183W, 15N, 17O, 13C, 11B, 31P, 119Sn, 19F, 1H, etc. The Delta software program provides all the usual 1D and 2D experiments, such as COSY, EXSY, NOE difference, NOESY, ROESY, HSQC, HMBC, TOCSY, DOSY, etc, often in their pulsed field gradient variants, at temperatures from 100 to +150°C. This instrument is used by specially trained researchers for a wide range of studies in synthetic, mechanistic, catalytic and protein chemistry, there being special interest in dynamic systems.
Bruker Avance 7.0 Tesla (1H at 300 MHz) multi-nuclear (107Ag 31P, 19F, 1H) instrument with auto-sampler, pulsed field gradients, 100 to +150°C temperature range. This instrument is automated to achieve a high sample throughput and is available to all trained researchers on a walk-up basis.
Data from these instruments are transferred to a private NMR network. This has a server for long-term storage, and three dedicated work stations in the NMR suite running the MestreC and Delta programs. Most of the data is accessible remotely using a variety of connection methods including the web. A web page has been set up giving instructions and links for web access to NMR data.
The third spectrometer will be highly automated with a 9.4 Tesla shielded magnet (1H at 400 MHz), auto-sampler, and auto-tune field-gradient probe with full multi-nuclear capabilities. It will be linked to the NMR intranet referred to above.