Center for NMR Spectroscopy

The Center for Nuclear Magnetic Resonance(NMR) Spectroscopy at Baylor functions through a collaboration between the departments of Chemistry & Biochemistry, Geosciences, and the Director's Office of the Sciences Building. For routine training and access to the instruments, or all other issues and advanced training, contact Dr. Xu (See contact information on the right). See below for a description of available instrumentation and for Facility Policies.


The Center for NMR Spectroscopy contains five NMR’s including three high resolution instruments, including an Agilent VNMRS 500 MHz NMR equipped with multinuclear and variable temperature capabilities, a Bruker Fourier 300 MHz (Probe: 5mm DUL 13C-1H-D with z-gradients) for 1H and 13C analyses to support undergraduate teaching, a Bruker Avance III HD 400 MHz with mutlinuclear (5mm PABBO BB(31P-109Ag)/19F-1H-D probe with z-gradients) and variable temperature capabilities, a Bruker Avance III HD 600 MHz with multinuclear and variable temperature capabilities as well as a Prodigy Cryoprobe(CPP BBO probe).

Facility Policies

Access to Labs and Instruments


  1. Instrument training by Xu is a prerequisite to using any of the facility instruments. Note that special training is required for the solid state NMR, which is administered by Prof. Bill Hockaday.
  2. Instrument accounts will be created at the time of training. Be sure to ask for accounts to be created on any additional instruments you will need to access (e.g., you may access both the Bruker Avance III HD 400 and 600 MHz instruments as well as the Bruker Fourier 300 if you have been trained on the 600).
  3. Card-access forms need to be signed by Dr. Xu once training is completed. Note, Dr. Xu can only sign your form if he is aware that you have been trained.
  4. Prior laboratory safety training through Baylor University's Department of Environmental Health & Safety is mandatory.


Reserving Time


  1. NMR Time for each instrument may be reserved using the Baylor Facility Online Manager(FOM). Permitted sign-up times are posted above each instrument's FOM Schedule and should be respected.
  2. Instructions on how to sign up FOMs can be found in the NMR Documentation page.
  3. Any experiments that need special considerations or allowances should be cleared first by Facility personnel.


Sample Handling


  1. You must sign up the FOM schedule before setting up any analysis.
  2. Do NOT use chipped or cracked NMR tubes to avoid instrument down time.
  3. You are required to legibly label your NMR tubes with at least your initials on the glass or the cap with a permanent marker. No physically attached labels or alternate marking strategies are permitted.
  4. Tape, parafilm, or other materials must not be attached to the sample tubes.
  5. Sample rotation is not permitted without special permission on any instrument except the Bruker Fourier 300. Samples must never be rotated on the Bruker Avance III HD 600.
  6. Several of our instruments have autosamplers that enable unattended runs. You are responsible for promptly removing your NMR tubes from both the NMR sample changer and the NMR Laboratory. It is expected that you will remove samples within 30 minutes during peak hours and by 9:00 AM the next day for overnight runs.
  7. Allocated/Reserved time slots: Experiments should be completed within the reserved time slot. If your sample runs into another time slot, that user reserves the right to stop your analysis and they may or may not contact you to let you know. The most common reason for a delayed run (and missing data) is a hangup in one of the automated shimming (Topshim)/tuning (ATMA) protocols so we recommend you stay with the instrument until that portion of your experiment has completed.
  8. Note that stopping a sample during ATMA or TOPSHIM can take the instrument off-line. If a queue is running behind because a sample is stuck on a shimming or tuning routine please contact Dr. Xu in order to resolve this issue without taking the instrument down for an extended period of time. Dr. Xu contact: email (xianzhong_xu@baylor.edu) or cell at (530)5742951.
  9. It is highly advised to use the same name for the same sample, and use different experiment number for different experiment. It is useful especially when you set up 2D experiments. All the 2D experiments on IconNMR are configured to be composite experiments which need to refer to the F2 dimension-a 1D proton experiment and the F1 dimension- a 1D either proton or carbon. If you set up experiment as above, all you 2D will automatically find the 1D experiment(s)(default number 10 for proton, default number 11 for carbon ) under the same sample name. If you use a different name for each of your 2D, IconNMR will try to find the 1D experiment(s) under each of those names. Of course, you can manually select the first 1D experiment(s) you run. Otherwise, it will fail.


Failure to follow the specified policies can result in loss of NMR privileges, which may include disabling automated data delivery or loss of facility access (depending on the severity of the problem and whether or not you are a repeat offender). Please understand that these policies are required to maintain a safe and efficient working environment.