17O NMR parameters of some substituted benzyl ethers components: Ab initio study
The 17O NMR chemical shielding tensors and chemical shift for a set of substituted benzyl ethers derivatives containing (methyl, ethyl, isopropyl, t-butyl, brome and lithium) have been calculated. The molecular structures were fully optimized using B3LYP/6-31G(d,p). The calculation of the 17O shield...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2016-09-01
|
| Series: | Arabian Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535211000980 |