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Issue 19, 2010
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6Li MAS NMR spectroscopy and first-principles calculations as a combined tool for the investigation of Li2MnSiO4 polymorphs

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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

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Publication details

The article was received on 12 Feb 2010, accepted on 22 Mar 2010 and first published on 06 Apr 2010


Article type: Communication
DOI: 10.1039/C003065A
Citation: Chem. Commun., 2010,46, 3306-3308
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    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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