Interpretation of NMR Chemical Shifts
โ Scribed by Martin Kaupp
- Publisher
- John Wiley and Sons
- Year
- 2005
- Weight
- 8 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0931-7597
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๐ SIMILAR VOLUMES
The empirical correlation of 2gSi NMR chemical shifts 6 and the mean SIOT (T = Al. 5%) bond angles a in sibcates and alutiosili~tes is explained by a simple quantum-chemical model. A linear mrrelatlon 6 = 6 o + M + b cos a/(cos a -1) is derived, where n is the number of Al atoms in the Si(OSi)q \_n(
The value of (6RIR) c& = -(9.8 \* 0.4) x 104 t zas been obtained by combining atomic Hartree-Fock caIcuIations with semi-empirical approximation of the.mcthod of molecular orbit& The scale calibration of chemical shifts of antimon)! compounds has been carried out on the basis of the value 6RIR.
The "0 NMR spectra of some esters are discussed and are correlated with -C N M R chemical shift and IR carbouyl stretching band data.