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Nuclear Magnetic Resonance Laboratory

This facility houses a 600 MHz NMR spectrometer with a range of probes and a 60 MHz benchtop NMR spectrometer. The facility has the capability to work with NMR samples at pressures up to 100 MPa. Some current research areas include the quantitative analysis of complex, real-world mixtures; low-uncertainty gas-phase mixture analysis; and liquid-liquid, vapor-liquid and vapor-solid equilibrium measurements. A dedicated laboratory provides all the necessary infrastructure. Major features of the 600 MHz spectrometer are summarized below.

 

Ethane Benzene
Spectrum of a vapor-liquid equilibrium sample of ethane + benzene. Signals from the liquid phase are denoted “L” and signals from the vapor phase are denoted “V”. The water peak is from residual HOD in the D2O within a flame-sealed capillary insert; among other things, this signal is used to determine the vapor density. The bulk liquid phase of ethane + benzene is positioned such that it is below the detection region of the NMR coil.

 

Dr. Widegren is shown inserting a sample for measurement

600 MHz 5 mm QNP Cryogenic Probe:

  • enables multipurpose NMR measurements for 1H, 13C, 31P, and 15N
  • the cryogenically cooled probe is three to four times more sensitive than conventional probes, which allows for the measurement of lower concentrations, or for greatly shortened experiment times (it's as much as 16 times faster than a conventional probe)
  • automatic routines for shimming, tuning and matching
  • sample temperature is controllable from 0 °C to 80 °C
  • 1H sensitivity is >2600:1

600 MHz 5 mm BBFO Probe:

  • enables multipurpose NMR measurements for 1H, 19F, or any nucleus in the range from 31P to 15N
  • automatic routines for shimming, tuning and matching
  • sample temperature is controllable from -150 °C to +150 °C
  • 1H sensitivity is >850:1

 

nmr plot
13C spectrum of Jet A kerosene in CDCl3 (inverse gated decoupling, 1.5% Cr(acac)3, 4120 scans).

600 MHz 4 mm HX CP-MAS (solids) Probe:

  • the broadband channel is tunable from 31P to 15N
  • 15 kHz maximum spinning speed
  • 13C linewidth: 4.6 Hz (adamantane)
  • 31P sensitivity: S/N = 3221 (ammonium diphospate, 2 scans)13C sensitivity: S/N = 139 (natural abundance glycine, 4 scans)
  • 15N sensitivity: S/N = 16 (natural abundance glycine, 4 scans)

 

Correlation-Chart_2
13C Spectra Correlation

 

Pulsed-Field-Gradient Diffusion Probe:

  • gradient strength of 18 T/m
  • sample temperature is controllable from -20 °C to +80 °C
  • three exchangeable inserts, one tuned singly for 1H
  • water cooling for high duty cycles
  • micro-imaging capability

 

 

 

Contacts

Created August 30, 2012, Updated June 10, 2020