Natural abundance solid-state 33S NMR study of NbS3: applications for battery conversion electrodes. Issue 84 (7th October 2019)

• Record Type: Journal Article
• Authors: Halat, David M.; Britto, Sylvia; Griffith, Kent J.; Jónsson, Erlendur; Grey, Clare P.
• Is Part Of: Chemical communications. Volume 55:Issue 84(2019)
• Page Start: 12687
• Page End: 12690
• Publication Date: 2019-10-07
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/c9cc06059f
• Languages: English
• ISSNs: 1359-7345

Abstract

Abstract : The first known solid-state 33 S NMR spectrum of disulfide (S2 2− ) anions is reported, in the Li-ion battery conversion material NbS3 . Abstract : We report ultra-wideline, high-field natural abundance solid-state 33 S NMR spectra of the Li-ion battery conversion electrode NbS3, the first 33 S NMR study of a compound containing disulfide (S2 2− ) units. The large quadrupolar coupling parameters ( C Q ≈ 31 MHz) are consistent with values obtained from DFT calculations, and the spectra provide evidence for the linear Peierls distortion that doubles the number of 33 S sites.