Chinese Journal of Magnetic Resonance

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Multinuclear Solid-State NMR and Quantum Chemical Investigations of Layered Transition Metal Disulfides

SUTRISNO Andre, HUANG Yi-ning*   

  1. Department of Chemistry, The University of Western Ontario, London, Ontario, N6A 5B7, Canada
  • Received:2013-02-11 Revised:2013-11-02 Online:2013-12-05 Published:2013-12-05
  • About author:Huang Yi-ning, Tel: 519-661-2111x86384, E-mail: yhuang@uwo.ca.
  • Supported by:

    a research grant from the Natural Science and Engineering Research Council of Canada, an equipment grant from the Canada Foundation for Innovation, and funding from the Canada Research Chair program.

Abstract:

Layered transition metal disulfides (MS2) and their derivatives have actual and potential applications in catalysis, ceramics, lubricants, semiconductors, energy storage, electronics and optical devices. In this work, we explored the possibility of characterizing these materials directly using solid-state NMR. Several representative transition metal disulfides (MS2: M=Zr, Ti, W, Mo and Ta) with known structures were examined. 33S, 47/49Ti, 91Zr and 95Mo solidstate NMR spectra were acquired at magnetic fields of 21.1, 14.1 and 9.4 T, respectively. Quantum chemical calculations were performed to assist in understanding the experimental results. The 33S, 47/49Ti, 91Zr and 95Mo NMR parameters of  MS2 were shown to be sensitive to local geometric and electronic environments.

Key words: solid-state NMR,  33S, 47/49Ti, 91Zr, 95Mo solid-state NMR spectra, metal disulfides

CLC Number: