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Inorg Chem. 2015 Oct 19;54(20):9853-61. doi: 10.1021/acs.inorgchem.5b01556. Epub 2015 Oct 05.

Multinuclear Magnetic Resonance Investigation of Crystalline Alkali Molybdates.

Inorganic chemistry

John E C Wren, Brandon J Greer, Vladimir K Michaelis, Carolyn S Higman, Scott Kroeker

Affiliations

  1. Department of Chemistry, University of Manitoba , Winnipeg, Manitoba R3T 2N2, Canada.

PMID: 26436608 DOI: 10.1021/acs.inorgchem.5b01556

Abstract

A variety of crystalline alkali molybdate phases are characterized by (23)Na, (133)Cs, and (95)Mo magic-angle-spinning nuclear magnetic resonance (MAS NMR) to provide spectroscopic handles for studies of devitrification products in borosilicate nuclear waste glasses. The NMR parameters obtained from line-shape simulations are plotted as a function of various structural parameters to discern trends that may prove useful in the determination of unknown phases. These are applied to Cs3Na(MoO4)2, the most common precipitate found in cesium- and molybdenum-bearing model nuclear waste glasses, the crystal structure of which has not yet been determined, to provide structural constraints that may guide the refinement of powder X-ray diffraction data.

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