Related Experiment Video
Updated: May 8, 2026

Pure Shift Nuclear Magnetic Resonance: a New Tool for Plant Metabolomics
Published on: July 31, 2021
Energy calibration issues in nuclear resonant vibrational spectroscopy: observing small spectral shifts and making
Hongxin Wang1, Yoshitaka Yoda, Weibing Dong
1Department of Chemistry, University of California, 1 Shields Avenue, Davis, CA 95616, USA. hxwang2@lbl.gov
Abstract:
The conventional energy calibration for nuclear resonant vibrational spectroscopy (NRVS) is usually long. Meanwhile, taking NRVS samples out of the cryostat increases the chance of sample damage, which makes it impossible to carry out an energy calibration during one NRVS measurement. In this study, by manipulating the 14.4 keV beam through the main measurement chamber without moving out the NRVS sample, two alternative calibration procedures have been proposed and established: (i) an in situ calibration procedure, which measures the main NRVS sample at stage A and the calibration sample at stage B simultaneously, and calibrates the energies for observing extremely small spectral shifts; for example, the 0.3 meV energy shift between the 100%-(57)Fe-enriched [Fe4S4Cl4](=) and 10%-(57)Fe and 90%-(54)Fe labeled [Fe4S4Cl4](=) has been well resolved; (ii) a quick-switching energy calibration procedure, which reduces each calibration time from 3-4 h to about 30 min. Although the quick-switching calibration is not in situ, it is suitable for normal NRVS measurements.
Related Concept Videos
NMR Spectrometers: Resolution and Error Correction
Instrument Calibration
Analytical Balance Calibration
An analytical balance measures mass and requires regular calibration to...
¹H NMR: Interpreting Distorted and Overlapping Signals
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are slanted or...
Atomic Spectroscopy: Effects of Temperature
At thermal equilibrium, the relative populations of excited and ground state atoms can be estimated using the Maxwell–Boltzmann distribution. For example, an increase in temperature from...
NMR Spectrometers: Overview
Double Resonance Techniques: Overview
Spin decoupling is usually achieved by...

