NMR Facility

The NMR facility, located at the Chemistry and Biochemistry Building (CB 128), supports the research of faculty and students of the Chemistry department and is available to anyone on campus and beyond.

Regular user training sessions are offered on the operation of the spectrometers. The facility manager also provides research consultation and helps with user application requests.

For access to the NMR instruments and user training please contact the lab manager, Leila Maurmann (at CB 126 or by email leila76@ksu.edu).

The facility has two Varian spectrometers for multinuclear liquid state experiments operating at frequencies of 200MHz and 400MHz.

These instruments are devoted to structural characterization of organic and inorganic molecules, and to the study of chemical reactions and chemical interactions between molecules.

GEMINI 2000

  • The Gemini operates at 200MHz frequency (4.7 Tesla)

  • The instrument is controlled by a Sun workstation operating VNMR software.

  • It is equipped with a 5mm switchable probe used for a number of 1H and 13C experiments

INOVA 400

  • The Unity Inova operates at 400MHz frequency (9.7 Tesla)

  • It is controlled by a RedHat Linux PC operating the VNMRJ software

The system is equipped with pulse field gradients, a two-channel detection system and variable temperature controller that can be used to perform a number of multidimensional, homo- and heteronuclear experiments.

Probes

  • The probe typically in use for the Inova system is the 5mm [1H/13C/15N/31P] ID (indirect detection) probe designed for more demanding applications in high-field NMR, such as heteronuclear and multidimensional experiments. This probe is equipped with Z-gradients. The probe has highest sensitivity for 1H experiments and it is the best probe for 2D homonuclear (COSY, TOCSY, NOESY) and 2D heteronuclear inverse experiments (HSQC, HMBC)

  • The 5mm 40-162MHz SW (switchable) probe enables observation and decoupling of high-frequency and low-frequency broadband nuclei, such as 15N, 13C, 31P.

  • The 10mm for 103Rh-31P{1H-19F} BB (broadband) probe is a multinuclear probe optimized for improved performance for the lower frequency nuclei (14-162MHz).

NMR DATA PROCESSING CENTER

Students and faculty can use the NMR data processing center (CB 127) for processing, editing and printing their spectra.

The Windows PC operating ACD/Lab 10, software designed for 1D and 2D NMR data processing, analysis and spectra interpretation.

The Sun workstation operates VNMR which can be used for training students in NMR data acquisition and processing.

RULES

  • All users must be trained by the lab manager (at CB 126 or by email leila76@ksu.edu before using the instruments.

  • Each user will be given a user name and password for scheduling time and for using the instruments.

  • All users must sign the log book when using the instruments.

  • Do not leave your NMR tubes in the NMR lab, they will be tossed in the trash, or become lost.

  • Please do not leave Kimwipes, unwanted spectra, sample tubes, etc., lying around.

  • Do not bring cell phones, headphones, iPods or the equivalent of these into the NMR lab.

  • No gloves while using the NMR instrument. Do not contaminate keyboard, mouse, etc.

  • If a sample breaks in a magnet, contact the NMR manager immediately, at CB 126 or by email leila76@ksu.edu - Do not attempt to remove the probe.

  • If a sample is stuck in a magnet, contact the NMR manager immediately, at CB 126 or by email leila76@ksu.edu - Do not change any of the pressure regulators.

SCHEDULING

  • Reservations to use the instruments are done online at http://faces.ccrc.uga.edu

  • Login as Group: KSUNMR and use your user name and password

  • Use the “Choose a schedule” list to select the instrument you wish to reserve.

SIGN-UP RULES

  • Experiments that require more time should be performed overnight; exceptions will be made by the manager for students that need help to set up the experiments.

  • Standard Carbon-13 experiments should not be performed during the day. If a student needs to use the instrument after 30 minutes of the carbon acquisition, your experiment will be stopped.

  • You can schedule time slots up to 48 hours in advance of the starting time of the reservation.

  • You cannot reserve consecutive time slots.

  • You are limited to 2 standing reservations per instrument per day, and a total of 3 future reservations per instrument.

  • Weekdays: from 8:00 AM to 6:00 PM is for walk up experiments or you may reserve 30 minute time slots.

  • Weekends and overnight: you may reserve time slot of up to 10 hours. On weekends the time between 12:00 PM (noon) and 4:00 PM is for walk-up experiments.

  • Overnight: slots are divided in two:

      • 6:00 PM to 10:00 PM

      • 10:00 PM to 8:00 AM

  • You should not reserve the time slots during the same night. You should reserve just the time necessary to complete your experiment.

  • You should delete any reservations that you are not going to be using ahead of time, to allow someone else to use the instrument.

You may leave instructions to the next user to save your data by writing on a sheet a paper and placing it on top of the keyboard the following information: your name, time and date the experiment is expected to finish. The file name and directory where you want the file to be saved.

Remember!! Your experiment and your sample are your responsibility!!!

If you have special needs please talk to the lab manager in CB 126 or by email leila76@ksu.edu.

GUIDES

The following manuals are for assisting training sessions on the general information, safety procedures, lab rules, sample preparation and standard operation of the NMR instrumentation.

Guides on some important NMR data processing parameters and on the protocol for processing data using the ACD Lab software are also available.

Only persons who have completed the official training course given by qualified laboratory personnel should follow these procedures.

These documents are not intended to replace the manufacturer’s original manuals.

Users should use these documents as a guide only!!

If you have any questions or wish to schedule training please contact the lab manager in CB 126 or by email leila76@ksu.edu

If you wish to run experiments that are not included in these manuals (NOE, homodecoupling, presaturation, or 2D NMR), you must inform the manager and receive specific training.

To run non-routine experiments, such as variable temperature (VT) and non-standard nuclei, contact the manager with a week in advance to schedule NMR time.