8.2:
NMR Spectroscopy: Chemical Shift Overview
The position of the NMR absorption frequency is expressed in terms of how far it is shifted from the signal of a reference compound, usually TMS.
The frequency difference is divided by the instrument operating frequency to yield the chemical shift, a dimensionless quantity.
Expressed in parts per million or ppm, chemical shifts are usually plotted on the δ scale, where the TMS signal appears at 0 ppm.
For instance, the absorption frequency of benzene protons is 436 hertz higher than the TMS signal in a 60 megahertz spectrometer, while the difference is 2181 hertz in a 300 megahertz instrument.
The chemical shift is 7.27 ppm in both cases, making it independent of the instrument operating frequency.
Signals on the right side of the spectrum are low-frequency upfield signals arising from the shielded nuclei of electron-dense environments.
In contrast, the signals on the left are high-frequency downfield signals from deshielded nuclei in electron-poor settings.
8.2:
NMR Spectroscopy: Chemical Shift Overview
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.
For instance, the proton signal from benzene is 436 Hz higher than the TMS signal in a 60 MHz spectrometer, while the difference is 2181 Hz in a 300 MHz instrument. In both cases, the obtained chemical shift is 7.27 ppm, indicating that it is independent of the instrument operating frequency. The low chemical shifts on the right side of the spectrum correspond to low-frequency upfield signals from shielded nuclei in electron-dense environments. In contrast, the higher chemical shifts correspond to high-frequency downfield signals from deshielded nuclei in electron-poor settings.