1H, 13C and 29Si magnetic shielding in gaseous and liquid tetramethylsilane

Włodzimierz Makulski; Karol Jackowski

doi:10.1016/j.jmr.2020.106716

¹H, ¹³C and ²⁹Si magnetic shielding in gaseous and liquid tetramethylsilane

J Magn Reson. 2020 Apr:313:106716. doi: 10.1016/j.jmr.2020.106716. Epub 2020 Mar 23.

Authors

Włodzimierz Makulski¹, Karol Jackowski²

Affiliations

¹ Laboratory of NMR Spectroscopy, Faculty of Chemistry, Warsaw University, Pasteura 1, 02-093 Warszawa, Poland.
² Laboratory of NMR Spectroscopy, Faculty of Chemistry, Warsaw University, Pasteura 1, 02-093 Warszawa, Poland. Electronic address: kjack@chem.uw.edu.pl.

PMID: 32213448
DOI: 10.1016/j.jmr.2020.106716

Abstract

Tetramethylsilane (TMS) is well-known as a reference standard of ¹H, ¹³C and ²⁹Si NMR chemical shifts. In the present study, we have observed TMS molecules in gaseous and liquid solutions. In the gas phase, the shielding parameters of TMS are monitored as the functions of density when xenon and krypton are applied as the buffer gases. It permits the evaluation of shielding in an isolated TMS molecule which is determined from the measurements of frequency and available nuclear magnetic moments. Having the shielding constants of an isolated TMS molecule, it is possible to proceed with the evaluation of ¹H, ¹³C and ²⁹Si TMS shielding in liquid state, which is extremely useful for the complete referencing of NMR spectra for protons, carbon-13 and silicon-29 nuclei. Consequently, the readings of chemical shifts and shielding parameters can be practically performed in the same experiment.

Keywords: Chemical shifts; Nuclear magnetic shielding; Tetramethylsilane (TMS).