Thallium Chemical Shift Referencing

Published: 11-02-2021| Version 1 | DOI: 10.17632/2ty7bfwvwn.1
Roy Hoffman


masShifts200526 and masShifts200527 contain MAS spectra for the determination of isotropic chemical shifts relative to dilute TMS in CDCl3 at several temperatures. CD3OD is used to measure the temperature. Samples of water and TlNO3 under air and TlNO3 under oxygen as well as TMS vapor were measured. The isotropic chemical shift TMS vapor, having low magnetic susceptibility, was combined with measurements at the vertical angle to measure the magnetic susceptibility of TlNO3 solutions. tlno3-200204 contains 1H spectra for various concentrations of TlNO3 solutions compared to TMS in CDCl3 and TMS vapor for use in calculating their magnetic susceptibility. tlno3-200323 contains 2H, 203Tl and 205Tl spectra at two approximate concentrations and at two temperatures to measure the temperature dependence of chemical shift. tlno3-200617 contains 1H and 2D spectra for calibrating 2H chemical shifts. tlno3-200727 contains 2H, 203Tl and 205Tl spectra at different concentrations at a 24.97°C. The first 2H spectrum is for temperature calibration. All the other 2H spectra are followed by a thallium spectrum that is referenced to it.


Steps to reproduce

The NMR spectra should be opened with Bruker Topspin 4 that is downloadable from The description of each spectrum is in its title file.