✦ LIBER ✦

Solid-state 13C chemical shift calculations in aryl ether compounds

✍ Scribed by N. J. Clayden

Publisher: John Wiley and Sons
Year: 1989
Tongue: English
Weight: 409 KB
Volume: 27
Category: Article
ISSN: 0749-1581
DOI: 10.1002/mrc.1260270717

No coin nor oath required. For personal study only.

✦ Synopsis

Chemically inequivalent carbons ortho to ether substituents are often seen in the solid-state I3C NMR spectra of aryl ether compounds. Calculation of the shielding caused by the steric, magnetic anisotropy, electric field and ring-current mechanisms demonstrates the importance of the electric field contribution for small phenyl ringether dihedral angles. Far large dihedral angles, steric and ringcurrent mechanisms must also be taken into account.

📜 SIMILAR VOLUMES

Calculation of 13C Chemical Shifts in RN

Calculation of 13C Chemical Shifts in RNA Nucleosides: Structure-13C Chemical Shift Relationships

✍ Paolo Rossi; Gerard S. Harbison 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 150 KB

Isotropic 13C chemical shifts of the ribose sugar in model RNA nucleosides are calculated using SCF and DFT-GIAO ab initio methods for different combinations of ribose sugar pucker, exocyclic torsion angle, and glycosidic torsion angle. Idealized conformations were obtained using structures that wer

13C-chemical shifts in organic compounds

📂 Article 📅 1994 🏛 John Wiley and Sons 🌐 English ⚖ 58 KB

Solid-state 13C chemical shift tensors i

Solid-state 13C chemical shift tensors in terpenes. Part I. Spectroscopic methods and chemical shift structure correlations in caryophyllene oxide

✍ James K. Harper; Gary McGeorge; David M. Grant 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 254 KB

Principal values of the 13C chemical shift tensor were obtained for the 15 carbons of solid caryophyllene oxide using an improved PHORMAT NMR analysis. The improvements include TIGER processing and improved proton decoupling. TIGER is an alternative to Fourier methods and shortens 2D data collection

13C Chemical Shift and 13C–14N Dipolar C

13C Chemical Shift and 13C–14N Dipolar Coupling Tensors Determined by 13C Rotary Resonance Solid-State NMR

✍ Louise Odgaard; Mads Bak; Hans J. Jakobsen; Niels Chr. Nielsen 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 184 KB

This work explores the utility of simple rotary resonance experiments for the determination of the magnitude and orientation of 13 C chemical shift tensors relative to one or more 13 C-14 N internuclear axes from 13 C magic-angle-spinning NMR experiments. The experiment relies on simultaneous recoup

13C–13C Chemical Shift Correlation in Ro

13C–13C Chemical Shift Correlation in Rotating Solids without 1H Decoupling During Mixing

✍ Christian Herbst; Kerstin Riedel; Jörg Leppert; Oliver Ohlenschläger; Matthias G 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 134 KB

Calculation of 13C NMR chemical shifts f

Calculation of 13C NMR chemical shifts for aromatic carbons in polyalkylated benzenes

✍ O. Sudmeijer; A. E. Wilson; G. R. Hays 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 271 KB

## Abstract ^13^C NMR spectra of a large number of polyalkylated benzenes with branched and linear aliphatic chains have been studied. This resulted in the development of a general procedure that can be used for the calculation of the aromatic chemical shifts in any polyalkylated benzene.