17O NMR parameters of some substituted benzyl ethers components: Ab initio study

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...

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Bibliographic Details
Main Author:	Mahdi Rezaei Sameti
Format:	Article
Language:	English
Published:	Elsevier 2016-09-01
Series:	Arabian Journal of Chemistry
Subjects:	Ab initio 17O NMR Chemical shielding Substituted benzyl ethers
Online Access:	http://www.sciencedirect.com/science/article/pii/S1878535211000980

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