Department of Chemistry

DEPARTMENT OF

Chemistry

site header

NMR

  • Samples in the NMR Lab
  • Molecule Structure in the NMR Lab
  • NMR Equipment
  • Large Liquid Nitrogen Containers in the NMR Lab
  • Françoise Sauriol in the NMR Lab

Location

Department of Chemistry
Chernoff Hall Room 108A
90 Bader Lane
Queen's University
Kingston, Ontario, Canada K7L 3N6
OFFICE: 613-533-2260
LAB: 613-533-6000 ext.77761
Fax: 613-533-6669

Hours

Monday to Friday
10:00 a.m. to 6:00 p.m.

The NMR lab is equipped with five Bruker AVANCE NMR spectrometers ranging from 300 to 600 MHz. The 300, 400 and 500 MHz spectrometers run Topspin software while the auto-400 and the 600 MHz spectrometers use XWINNMR software.  The spectrometers are operated by students who have received adequate training. The spectrometers are reserved online through the Faces scheduling web site. There are a few additional NMR programs located on extra computers in the NMR lab: ACD prediction software (H and C13, as well as F19, N15 and P31), Aldrich catalogue (ACD), Mestrec-Nova processing, Topspin and Xwinnmr processing software. NMR processing freeware (academic) is also available on these computer (ACD-processing, Spinworks, NMR-note book.)

Basic and advanced training can be arranged within 1-2 days.

Contact Information

Photo: Francoise Sauriol

Dr. Françoise Sauriol
NMR Manager
Email: Francoise.Sauriol@chem.queensu.ca
Website: NMR Website
 

Instrumentation
  • AVANCE-300 – TXI probe, used for routine 1H, 13C, 31P and 15N NMR – 1D and 2D
  • AVANCE-400 - Solution NMR for all nuclei including 19F –1D or 2D; equipped for variable temperature: BBFO probe with auto tuning and matching
  • AVANCE-500 - Solution (BBFO probe with auto tuning and matching) and solid state NMR for all nuclei –1D or 2D equipped for variable temperature.
  • Auto-400 - Solution NMR for all nuclei–1D or 2D (except Fluorine) – Automatic sample changer – for 60 samples – Automatic Tuning and Matching
  • AVANCE-600 - 3 channel instrument for Solution NMR for all nuclei (except Fluorine);equipped with a TBI probe (H/C/BB) - 1D, 2D or 3D-NMR - equipped for variable temperature; Also equipped for solid state NMR with CP-MAS probe for wideline NMR & semi-solid material (P31 to N15).
Training
  • We provide basic NMR training (3 hours) to learn how to set up 1D, 2D experiments on the Bruker Avance spectrometers. The basic training includes the manipulation of the Auto-400 (Icon-NMR program). The basic session is limited to three students per session. We also show participants how to back up data files and manipulate other NMR programs (i.e. prediction software, the NMR database, etc.).
  • Users who completed the basic training and read and signed the safety sheet can have their swipe card activated which admits them into the NMR lab after hours.
  • The training for using the 400/500 spectrometers is much shorter (30 min-1hr). It consists of learning manual shimming, variable temperature, and auto tuning of the probe. This training is open to everyone (who has received the basic training). Appointments are generally set up on an individual basis via e-mail. The user is strongly encouraged to bring his or her own sample for the training.
  • The training on the 600 is 3 hrs long and is only open to graduate students, Post-doc students and researchers with a background in NMR. The user must bring meaningful sample (s) from their research.
  • During the training we perform 2D NMR experiments like HSQC and NOESY.
  • Participants learn how to quickly calibrate the proton pulse, measure relaxation time, and do probe tuning. This training is offered on an individual basis via e-mail.
 
Reservation and booking rules

Except for the Auto-400, all the other spectrometers are reserved through Faces Scheduling web site where our group name is: QCHEM. The spectrometers can be reserved up to 2 days in advance. Longer blocks of time can be reserved on the weekend. On Saturday during the daytime (9am to 6pm), users can reserve time up to 3 hours max on the 400/500 spectrometers. On the 500, a user can reserve a second block of time to conduct longer experiments. The users of the daytime cannot be the same as the user of the overnight to allow more users to have access to the spectrometers. It is forbidden to reserve 2 instruments at the same time. Reservations of up to 24hrs are only possible on Sundays. The 600 can be reserved for up to 24hr use on both Saturday and Sunday.

The participant`s name is activated in Faces to use the spectrometer (s) upon completion of the proper training session.

  • The 300: Weekdays from 8 AM to 6 PM time can be reserved for short periods (10 min to 30 min max) during the day (several reservations can be made during the day but not continuous). Longer periods are available after 6PM. The overnight period is 8PM until 8AM next day.
  • The 400 and 500: Weekdays from 8 AM to 6 PM time can be reserved in short blocks (10 min to 60 min max). The maximum amount of time that can be reserved by a user per day is 1 hr. Longer periods are available can be booked after 6PM. The overnight period is 8PM until 8AM next day.
  • The 600: can be reserved in up to 3 hour sessions during the day with the possibility of continuous reservation for longer experiments. The overnight period is 8PM until 9AM next day.
 
Data Backup

If you store your files in your supervisor`s directory, your data will be backed up in the NMR lab periodically (every 2 weeks). If you store your data in a different directory that you create yourself, you are responsible for backing up your data.

To find the files that belong to you it is highly recommended that you use a 2 letter code at the beginning of all your file names. You will receive a unique 2 letter code at training time.

In the future, we will have files saved to a server that will be accessible with your e-mail username and password.

 
Service Fees

Internal users (Chemistry):

  • AV-300: $4.00/hour
  • AV-400, 500, 600: $5.00/hour
  • Overnight (8PM to 8AM) is charged as a 3 hour period
  • Weekend 50% reduction

External (Other Queen’s departments as well as RMC):

  • All spectrometers: $12.00/hour
  • Overnight (8PM to 8AM) is charged as a 3 hour period
  • Weekend 50% reduction

Other educational institutions:

  • All spectrometers: $30.00/hour
  • Overnight (8PM to 8AM) is charged as a 3 hour period
  • Weekend 50% reduction

Industry:

  • All spectrometers: $100.00/hour
  • Overnight (8PM to 8AM) is charged as a 3 hour period
  • Weekend 50% reduction

Discount for heavy internal users:

  • Internal users spending less than $4000 per year: no discount
  • Internal users spending more than $4000 up to $8000 per year will receive a 50% discount on the amount exceeding $4000
  • Internal users exceeding $8000 per year: a 75% discount applies to the amount in excess of $8000

We offer service NMR spectra for those who do not want to use the spectrometers themselves – this service is done as soon as the spectrometers are available. Priority is given to outside users (industry) who have no internal users affiliated with the department. For users who belong to internal or external departments at Queen’s, a double charge is applied when using NMR service. Solid state NMR is available upon request (CP-MAS). To submit a sample, fill the form in the NMR lab and leave your sample in a properly labeled vial. Your sample will be run within a week at the nominal charge for your group.