Skip navigation
Skip navigation

Solid-state 17O NMR spectroscopy of hydrous magnesium silicates: Evidence for proton dynamics

Griffin, J.M.; Wimperis, Stephen; Berry, Andrew; Pickard, Chris J.; Ashbrook, Sharon E.

Description

First-principles calculations of 17O quadrupolar and chemical shift NMR parameters were performed using CASTEP, a density functional theory (DFT) code, to try and interpret high-resolution 17O NMR spectra of the humite group minerals hydroxyl-chondrodite

dc.contributor.authorGriffin, J.M.
dc.contributor.authorWimperis, Stephen
dc.contributor.authorBerry, Andrew
dc.contributor.authorPickard, Chris J.
dc.contributor.authorAshbrook, Sharon E.
dc.date.accessioned2015-12-13T22:45:39Z
dc.identifier.issn1932-7447
dc.identifier.urihttp://hdl.handle.net/1885/79886
dc.description.abstractFirst-principles calculations of 17O quadrupolar and chemical shift NMR parameters were performed using CASTEP, a density functional theory (DFT) code, to try and interpret high-resolution 17O NMR spectra of the humite group minerals hydroxyl-chondrodite
dc.publisherAmerican Chemical Society
dc.sourceJournal of Physical Chemistry C
dc.subjectKeywords: A densities; Analytical models; Atomic-scale resolutions; Calculated values; Clinohumite; Dynamic disorders; First-principles calculations; Frequency dimensions; High resolutions; Magic angle spinnings; Magnesium silicates; MAS-NMR; Multiple-quantum magic
dc.titleSolid-state 17O NMR spectroscopy of hydrous magnesium silicates: Evidence for proton dynamics
dc.typeJournal article
local.description.notesImported from ARIES
local.identifier.citationvolume113
dc.date.issued2009
local.identifier.absfor020400 - CONDENSED MATTER PHYSICS
local.identifier.absfor040200 - GEOCHEMISTRY
local.identifier.ariespublicationf5625xPUB8249
local.type.statusPublished Version
local.contributor.affiliationGriffin, J.M., University of St Andrews
local.contributor.affiliationWimperis, Stephen, University of Glasgow
local.contributor.affiliationBerry, Andrew, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationPickard, Chris J., University of St Andrews
local.contributor.affiliationAshbrook, Sharon E., University of St Andrews
local.description.embargo2037-12-31
local.bibliographicCitation.issue1
local.bibliographicCitation.startpage465
local.bibliographicCitation.lastpage471
local.identifier.doi10.1021/jp808651x
local.identifier.absseo970104 - Expanding Knowledge in the Earth Sciences
dc.date.updated2016-02-24T09:41:07Z
local.identifier.scopusID2-s2.0-65249169371
CollectionsANU Research Publications

Download

File Description SizeFormat Image
01_Griffin_Solid-state_17O_NMR_2009.pdf243.12 kBAdobe PDF    Request a copy


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  22 January 2019/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator