High Resolution NMR Lab
The St Louis University High Resolution NMR Lab is an open-access facility located in the Department of Chemistry at the sub-basement level of Shannon Hall (RM 8). The lab houses the modern multi-nuclear Bruker spectrometer with the field strength of 16.4 Tesla. This spectrometer is a powerful tool to investigate the structures and dynamics of organic molecules and biomolecules as well as implement new NMR experiments for users at different areas. Although this lab is physically housed within the Department of Chemistry, the lab staff will provide NMR services as needed to the entire campus community as well as other users (corporate, other universities, and organizations). After appropriate training, users from different research groups can also conduct their own NMR experiments. The NMR instrument is accessible to trained users 24 hours per day, year-round.
The nuclei of interest to most users are 1H and 13C, followed by 15N, 31P, 2H and 19F. The NMR experiments available range from relatively simple one-dimensional (1D) direct-observe experiments (for 1H, 13C, 15N, 31P and 19F) to more elaborate two-dimensional (2D) experiments such as COSY, NOESY, HMQC/HSQC and HMBC, as well as diffusion and dynamics NMR experiments.
Bruker Avance II HDTM 700
A Bruker Avance HDTM 700MHz NMR spectrometer will be installed in Shannon Hall 8 in early October 2016. Equipped with TOPSPIN software provided by Bruker for data acquisition, archival and processing, this spectrometer is a research-oriented instrument and primarily used for long term experiments, H/C/X triple resonance experiments and biomolecular experiments.
The instrument specifications include:
- The Bruker Ascend 700MHz Premium Shielded magnet (54mm bore)
- 1H-19F/15N/31P/13C/2D 5mm PFG quadruple resonance inverse detection Cryoprobe
- 1H/13C/15N/2D 5mm PFG triple resonance inverse detection probe
- 5 rf channels with pulsed field gradient and waveform generators
- Automatic tuning and matching accessory
- Variable temperature capability (-150oC to +150oC)
- Automatic sample changer: SampleCase
- Sample positioning unit (SPU) to permit use of shaped tubes
- Antivibration legs system
Two probes are available: a 5mm inverse triple resonance (TXI) probe and a quadruple resonance inverse (QCI-H/F P active) cryoprobe.
Bruker 5 mm PFG quadruple resonance inverse detection Cryoprobe (default)
Frequency range:1H-19F/ 15N/31P/13C/2D
Temp range: -40° to +80° C
Other features: Automatic tuning and matching
Bruker 5 mm PFG triple resonance inverse detection probe
Temp range: -150° to +150° C
Other features: Automatic tuning and matching
The NMR services offered
- Organic molecule structure determination
- 1H, 13C, 31P, 15N, 19F 1D and DEPT experiments
- 2D COSY, NOESY, TOCSY, HMQC, HMBC, HSQC
- Biomolecule structure determination
- 2D 1H-15N HSQC
- 3D CBCA(CO)NNH ; CBCANH / HNCACB; HNCO ; HN(CA)CO
- 3D 15N-NOESY-HSQC
- 1D exchangeable protons in water (solvent suppression)
- 1D non-exchangeable protons in D2O
- 2D NOESY in water with solvent suppression
- 2D NOESY in D2O
- 2D COSY
- 1D phosphorus
- 2D HETCOR (H-P)
- Dynamic study
- Chemical exchange
- T1, T2, T1ρ
The NMR service is available for all research workers in SLU and external users. Samples may be submitted for analysis to the service, and are returned to you together with the completed spectra. You may seek the assistance of the NMR staff for the analysis of your data as necessary.
Becoming a user
Research workers may ask to be trained to use the 700MHz spectrometer themselves. The basic training program covers the procedures necessary to obtain basic 1D NMR spectra of common nuclei (1H and13C) using standard Bruker parameter sets as well as the administrative and safety issues related to the use of the NMR lab. After the training, all users will be checked out first in order to become approved NMR users. More advanced training is available upon request. Some easy-to-follow instructions for certain more advanced experiments, such as T1, T2, solvent suppression, DEPT and diffusion will be available for download from this website.
- NMR time is charged a $10.00 per hour on the instrument
- A 20% discount of these rates will be offered to SLU researchers.
For Industrial User Rates, please contact the lab manager.
Free Software and NMR spectral database
http://www.bruker-nmr.de/guide/eNMR/chem/NMRnuclei.html (NMR periodic table)
http://sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi (spectral database for organic compounds SDBS)
ftp://davinci.chem.umanitoba.ca/pub/marat/SpinWorks/JavaVersion Spinworks (PC)
http://inmr.net/ (both Mac and PC, free and paid versions)
http://www.slu.edu/department-of-chemistry-home (St Louis University, Department of Chemistry)
http://www.ammrl.org/ (Association of Managers of Magnetic Resonance Laboratories)
http://www.cis.rit.edu/htbooks/nmr/ (The basics of NMR, an online book by Dr. Joseph Hornak, Rochester Institute of Technology)
http://link.springer.com/book/10.1007%2F978-3-642-37991-8 (NMR testbook)
https://en.wikipedia.org/wiki/Nuclear_magnetic_resonance (NMR ‘encyclopedia')
http://u-of-o-nmr-facility.blogspot.com/ (NMR Blog from the University of Ottawa. )