NMR

The NMR lab is equipped with six Bruker NMR spectrometers ranging from 300 to 700 MHz. The Avance-300 and 400 run Topspin-1.3 software, while the NEO-500 and 700 MHz spectrometers run Topspin-4. The auto-400 and 600 MHz spectrometers use XWINNMR software. The spectrometers are operated by students who have received adequate training.

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), Mestrec-Nova processing, and Topspin (version 1.3, 2.0 and 3.5) processing software. TOPSPIN NMR processing is available freely for academic users. Also available on these computers is the ACD-NMR processing and Spinworks.

NMR testing equipment
Demonstration of NMR testing
Liquid nitrogen tanks

Except for the Auto-400, all the other spectrometers are reserved through Faces Scheduling website 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.

Your name will be activated in Faces to using the spectrometer(s) as soon as you have completed the proper training session.

  • The 300: Weekdays from 8 AM to 6 PM is reserved for short periods (10 min to 30 min max) during the day. Several blocks can be made during the day (but not continuous). Longer periods are available after 6 PM. The overnight period is 8 PM until 8 AM next day.
  • The 400 and 500: Weekdays from 8 AM to 6 PM time is reserved for 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 6 PM. The overnight period is 8 PM until 8 AM next day. Users cannot reserve 2 days in advance or more than 2 overnights per week.
  • The 600: can be reserved up to 3 hour sessions during the day with the possibility of another continuous reservation for longer experiments. The overnight period is 8 PM until 9 AM next day.
  • The 700: can be reserved for solution or solid state usage. Solid state NMR is the priority for this spectrometer. When in that mode, users of solid state NMR can reserve up to 4 days ahead.
  • From Thursday 9:00 AM until Monday noon, the reservation is only open to Gang Wu group for solid or solution work.
  • From Monday noon until Thursday 9 AM, the spectrometer is open for reservation for all the other groups (except Gang Wu group). For Solution NMR, each user can reserve up to 3 hrs during the day time (9AM-8PM) with the possibility of another continuous reservation for longer experiments. The overnight start at 8 PM to end at 9 AM next day. If you reserve an overnight period that you no more need you should delete that time before 6PM so that other user can take advantage of that time.
  • If in the period Thursday-Monday (reserved to Gang Wu group only), on the day itself (at 9 AM), no one from Gang’s group has reserve time, then that day is open to all other users.

Internal users (Chemistry):

  • AV-300: $6.00/hour
  • AV-400, 500, 600: $7.00/hour
  • NEO-700: $9.00/hour
  • Overnight (8 PM to 8 AM) is charged as a 3 hour period
  • Weekend 50% reduction

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

  • All spectrometers, except the 700: $14.00/hour
  • NEO-700: $16.00/hour
  • Overnight (8 PM to 8 AM) is charged as a 3 hour period
  • Weekend 50% reduction

Other educational institutions:

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

Industry:

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

Discount for heavy internal users:

  • Internal users spending less than $6,000 per year: no discount
  • Internal users spending more than $6,000 up to $10,000 per year will receive a 50% discount on the amount exceeding $6,000
  • Internal users exceeding $10,000 per year: a 75% discount applies to the amount in excess of $10,000

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 effective when using NMR service (instead of their own users).

Solid state NMR is available upon request (CP-MAS). To submit a sample, fill in 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.

  • 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
  • NEO-500 - Solution (BBFO probe with auto tuning and matching) 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). Also Solid CP-MAS probe for nuclei - 1D, 2D or 3D-NMR - equipped for variable temperature; also equipped with a MAS probe for wideline NMR & semi-solid material.
  • NEO-700 - 3 channel instrument equipped with 4 probes for solid state with MAS and a solution probe. The solution probe is a BBO with auto tuning/matching. In terms of solid, we have a 1.3 mm H/F/BB (max speed 67 kHz), a 2.3 mm tri-gamma probe (max speed 37 KHz) a 3.2 mm low gamma nuclei, and a 4 mm BB probe (15 KHz max spinning). This instrument is equiped with a BCU-II unit that can provide temperature down to 233K.

All the training for use of the NMR's is virtual at this time. The videos are on OnQ and are accessible after registering in the course using your Queen's NetID.

 

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.

  Address

Department of Chemistry
Chernoff Hall Room 108A
90 Bader Lane
Queen's University
Kingston, Ontario, Canada K7L 3N6

  Phone

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.

Contact Information

 

Dr. Muzaddid Sarker

Dr. Muzaddid Sarker

Email: nmr-facility@queensu.ca
Website: NMR Website