Analyzing and correcting spectrometer temperature sensitivity.

Abstract

Stability and reproducibility of the spectrometer are fundamental to the success of many modern NMR experiments. Variation in room temperature is a particularly important source of instability, in part because it can cause coherent artifacts in NMR spectra. Small changes in room temperature lead to corresponding changes in the phases, amplitudes, and frequencies of NMR signals. These can lead in turn to apparently random spectral artifacts such as t(1)-noise in two-dimensional (2D) NMR and to the incomplete cancellation of signals in difference spectra, but also, importantly, to F(1) satellite signals in 2D spectra. These "parallel diagonals" arise from the use of air conditioning, which typically forces room temperature to oscillate within a fixed band. Work to identify, quantify, and suppress sources of temperature sensitivity in a modern 300-MHz spectrometer has led to a greater than 10-fold improvement in the signal-to-artifact ratio.