ISSN:
0030-4921
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Some shielding calculations, using Pople's SOS model, are reported for B, C, N, F, P and Si as a function of changes in bond length and pyramidal bond angle. In all cases considered, the shielding is predicted to decrease as the bond length increases, which is in line with the available experimental data. The observed temperature variation of the nitrogen and phosphorus shieldings of NH3, PH3 and PF3 could be accounted for by a decrease in the pyramidal angle at higher temperatures. A similar angular variation for NF3 is predicted to cause a shielding variation, with temperature, in the same sense as that reported for NH3 and PH3, but opposite to that for PF3.
Additional Material:
2 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1270220207
