6Li MAS NMR spectroscopy and first-principles calculations as a combined tool for the investigation of Li2MnSiO4 polymorphs.
Polymorphism of Li(2)MnSiO(4) was inspected by (6)Li 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.
Mali
Gregor
G
National Institute of Chemistry, Hajdrihova 19, SI-1001 Ljubljana, Slovenia. gregor.mali@ki.si
Meden
Anton
A
Dominko
Robert
R
D007554:Isotopes; D008094:Lithium / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008345:Manganese / Q000737:chemistry*; D012822:Silicon Dioxide / Q000737:chemistry*
D007554:Isotopes; D008345:Manganese; D012822:Silicon Dioxide; D008094:Lithium