Advanced NMR Analyses

Particularly challenging NMR investigations of compounds and reactions in solution can be submitted for Advanced Analysis. For these samples, our experienced staff members will assume an active role in the analysis in close collaboration with the chemist/client. Upon request, the operator will undertake literature and database searches for similar compounds, provide recommendations for sample preparation, assume all experimental optimisations and measurements, conduct a complete target-oriented analysis and provide a full report.

Typical Advanced Analyses are submitted to obtain unbiased validation of a critical reaction product or to elucidate unknown compounds, but can also be applied for specific problems like resolution of relative stereochemistry, determining diffusion constants, mixture quantification or purity evaluation, measurements of kinetic or thermodynamic parameter, solving conformations and dynamics information, and so on. We

The Advanced Analyses are carried out on one of our five dedicated spectrometers:

(a)  a 600-MHz system (av600a), equipped with

• a cryogenically-cooled triple-channel probehead, optimised for high-sensitivity and resolution of ¹H experiments as well as for any ¹H/¹³C/¹⁵N multinuclear correlation experiments near room temperature.

(b)  a 600-MHz system (av600neo), equipped with

• a cryogenically-cooled double-channel probehead, with unrivalled sensitivity on ¹³C and other active-isotopes (in direct detection) and with temperature range between -40 to 150°C
• a cryogenically-cooled quadruple-channel probehead, optimised for high-sensitivity ¹H/¹⁹F/¹³C/¹⁵N multinuclear correlation experiments and with temperature range between -40 to 150°C.

(c)   a 500-MHz instrument (av500as) equipped with several multinuclear double- and triple-channel probeheads, which provide the possibility to measure at high and low temperature, to cover a broad range of NMR-active isotopes, and to run advanced up to triple-resonance experiments.

(d)  a 400-MHz instrument (av400hd), equipped with

• a standard double-channel probehead, utilised mostly for VT-experiments from -80°C (or lower) to +150°C;
• a multinuclear double-channel probehead, specialised for diffusion experiments with high-power pulsed-field gradients.

(e)  a 300-MHz instrument (av300w), equipped with several multinuclear double-channel probeheads and dedicated mostly for kinetic experiments.