Nuclear Magnetic Resonance (NMR) Center

Nuclear Magnetic Resonance spectroscopy, or NMR, is a technique used to characterize molecules we synthesize and isolate from complex natural extracts. It is much more than one method, as it offers a dizzying array of experiments that allow structure determination, characterization of clusters and polymers, measurement of dynamics and kinetics and elucidation of reactivity. Familiarity with NMR is important for almost all academic and industrial jobs in chemistry. The facility is located in room 33 of the Chemistry-Physics Building.
 
The facility currently includes 5 instruments. In addition, there are data stations for offline processing of NMR data. Two high-resolution 400 MHz instruments are available for characterization of small molecules using all routine solution methods and a variety of nuclei. One 400 MHz spectrometer is maintained with the probe quadruply-tuned for 1H, 19F, 31P and 13C. The other can be tuned to accommodate spectroscopy of other nuclei, upon request to Dr. Mobley. A 600 MHz high-resolution instrument is equipped for work on proteins and other macromolecules. A robotically sampled 400 MHz instrument is available for characterization of samples that are less time sensitive or need longer run times. An additional robotic 500 MHz high-resolution spectrometer serves our large undergraduate courses. 
 

Who's Who in the NMR Lab

 
Day to day operations of the NMR facility are overseen by full time spectroscopist Dr. Justin Mobley. Dr. Mobley can usually be found in rooms 33 (NMR) or 144 of the Chemistry/Physics Building. Dr. Mobley maintains the instruments and provides individual instruction so that students who are beginning their research can learn to operate all of the NMR spectrometers in a matter of weeks. Additionally, Mr. Mason Daniel is the current NMR Center Manager TA. Mr. Daniel aids undergraduate and graduate level courses which use NMR spectroscopy. Mr. Daniel also assists with NMR maintenance and training courses.
 

The NMR center management understands that mistakes happen to the best of us. However any user who fails to report a problem IMMEDIATELY or who conceals damage or errors of any kind can loose access to NMR center instrumentation. If you encounter trouble, contact Dr. Mobley as soon as possible. ALSO leave a note on the keyboard of the affected spectrometer to prevent further use until the malfunction is resolved.

Dr. Mobley is the director of the NMR facility. Contact him by email if you need help, or if you are interested in more advanced NMR experiments such as the 2Ds (see below). If there is a malfunction in the NMR center and you are unable to find Dr. Mobley, contact Mr. Daniel.

 

Training

 
Mandatory initial training is provided by Dr. Mobley and Mr. Daniel. Dr. Mobley also provides assistance in collection of high-quality data, interpretation of spectra, the execution of high- and low-temperature experiments, and collection of spectra of exotic nuclei. For general training and future access to the NMR center, please click here. For designation as a "skilled user," and future access to GORT in room CP-29, please click here. Please allow at least 3 full days notice on all such requests, however a one week notice is appreciated.  
 

Reserving Instrument Time

 
The remote reservation system for reserving instrument time is performed through FACES Scheduling System. Please use the group name UKNMR along with your username and password. For long-block use please contact Dr. Mobley.
 

Learning More

 
CHE 555, taught by Prof. Miller, introduces users to the 15 of the most useful NMR experiments.
 
In addition, users wishing to collect 2D spectra and execute advanced experiments are always welcome to contact Dr. Mobley.
 
The department also maintains a modest but perfectly serviceable X-band electron paramagnetic resonance spectrometer (EPR) with a two-year old resonator cavity and rebuilt bridge.

 

Free NMR Processing Software

There are several free NMR processing software options for academic users. Users are encouraged to use these applications to process their data on their personal and/or lab computers. Additionally, users may use a copy of Mnova located on the processing computer in the NMR Center. However, please note that Dr. Mobley and Mr. Daniel do not give advice or training on how to use these applications. 

Bruker (Windows or Mac). To open Varian files in the Bruker TopSpin program, type vconv into the command bar (bottom of the screen). Select the desired folder (the folder should have the extension .fid) in the pop-up directory window (please note that you are selecting the folder NOT the files within the folder). Then click VNMR data conversion. A new pop-up window will open. Type 10 next to EXPNO then click OK. Your file should open. 

JEOL (Windows or Mac). In order to obtain this software you must register with JEOL (please do so with your uky.edu email address). Once registered follow the instructions. For instrument type select (ECZR). Please note that in order to download the JEOL DELTA software a review of your newly registered account is necessary. Thus, it may take 1-3 day before the software can be downloaded.

 

NMR References 

There are a plethora of options for users looking for NMR references. Indeed, the University of Wisconsin - Madison maintains a website with common 1H,  13C19F31P,  and 77Se chemical shifts. Information about common H-H and C-H coupling constants can also be found on their website. 

Additionally, the website NMRDB.org has a helpful NMR predictor which can be used for 1H and 13C as well as the 2D techniques COSY and HSQC/HMBC. 

For those researchers working on NMR of lignin and lignin model compounds a database completed by John and Sally Ralph (University of Wisconsin - Madison and United States Forest Products Laboratory, respectively) can be found here

The Biological Magnetic Resonance Data Bank (BMRB) is useful tool for those researchers working on proteins, peptides, nucleic acids, and other biomolecules

If you have other NMR references you would like added to this website, or if you find errors, please contact Dr. Mobley.

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