The Magnetic Shielding Polarizabilities of Some Tetrahedral Molecules

International Journal of Molecular Sciences

Martin Grayson¹ 

[1]Department of Chemistry, The University, Sheffield S3 7HF, UK

关键词: Magnetic;    Shielding;    Buckingham and TDMS;   

DOI  :  10.3390/ijms1030049

来源: mdpi

【 摘 要 】

TMS is the commonest standard reference for both protons and ¹³C NMR spectroscopy. The Magnetic Shielding and its Polarizabilities, plus the static polarizability have been calculated for TMS, tetramethyl ammonium cation and 2,2-dimethylpropane. An investigation of continuum solvation effects on these highly symmetrical molecules, whose first surviving electric moment is the octopole, showed interaction with solvent makes little change to these magnetic properties. This small change is however consistent with both the high symmetry of the molecules and the available extensive experimental data for TMS. A rationalization of the signs and magnitudes of A in a sequence of related molecules has been suggested.

【 授权许可】

CC BY   
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.