Looking back and to the future after four-plus years of language in chemistry

Glen M Hocky1, Andrew D White2

  • 1Department of Chemistry and Simons Center for Computational Physical Chemistry, New York University New York NY USA hockyg@nyu.edu.

Digital Discovery
|March 19, 2026
PubMed

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In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
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The position of the absorption signal of a sample is reported relative to the position of the signal of tetramethylsilane (TMS), which is added as an internal reference while recording spectra. The difference between the absorption frequencies of the sample and TMS (in Hz) is divided by the spectrometer operating frequency (in MHz) to obtain a dimensionless quantity called the chemical shift. It is reported on the δ (delta) scale and expressed in parts per million.
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