Issue 76, 2017

Calculation and experimental measurement of paramagnetic NMR parameters of phenolic oximate Cu(ii) complexes

Abstract

We present a strategy for predicting the unusual 1H and 13C shifts in NMR spectra of paramagnetic bisoximato copper(II) complexes using DFT. We demonstrate good agreement with experimental measurements, although 1H–13C correlation spectra show that a combined experimental and theoretical approach remains necessary for full assignment.

Graphical abstract: Calculation and experimental measurement of paramagnetic NMR parameters of phenolic oximate Cu(ii) complexes

Supplementary files

Article information

Article type
Communication
Submitted
01 jul. 2017
Accepted
29 ago. 2017
First published
29 ago. 2017

Chem. Commun., 2017,53, 10512-10515

Calculation and experimental measurement of paramagnetic NMR parameters of phenolic oximate Cu(II) complexes

D. M. Dawson, Z. Ke, F. M. Mack, R. A. Doyle, G. P. M. Bignami, I. A. Smellie, M. Bühl and S. E. Ashbrook, Chem. Commun., 2017, 53, 10512 DOI: 10.1039/C7CC05098D

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements