Issue 19, 2010

6LiMAS NMR spectroscopy and first-principles calculations as a combined tool for the investigation of Li2MnSiO4 polymorphs

Abstract

Polymorphism of Li2MnSiO4 was inspected by 6Li MAS NMR spectroscopy. The detected isotropic shifts and spinning-sideband patterns were successfully reproduced by first-principles calculations and offered an insight into structural differences among the polymorphs. The approach for predicting isotropic shifts was also tested on several other Li-containing paramagnetic structures.

Graphical abstract: 6Li MAS NMR spectroscopy and first-principles calculations as a combined tool for the investigation of Li2MnSiO4 polymorphs

Supplementary files

Article information

Article type
Communication
Submitted
12 Feb 2010
Accepted
22 Mar 2010
First published
06 Apr 2010

Chem. Commun., 2010,46, 3306-3308

6Li MAS NMR spectroscopy and first-principles calculations as a combined tool for the investigation of Li2MnSiO4 polymorphs

G. Mali, A. Meden and R. Dominko, Chem. Commun., 2010, 46, 3306 DOI: 10.1039/C003065A

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