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A 115In solid-state NMR study of low oxidation-state indium complexes

Hamaed, H., Johnston, K.E., Cooper, B.F.T., Terskikh, V.V., Ye, E., Macdonald, C.L.B., Arnold, Donna C., Schurko, R.W. (2014) A 115In solid-state NMR study of low oxidation-state indium complexes. Chemical Science, 5 (3). pp. 982-995. ISSN 2041-6520. E-ISSN 2041-6539. (doi:10.1039/c3sc52809j) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. (Contact us about this Publication)
Official URL
http://dx.doi.org/10.1039/C3SC52809J

Abstract

115In solid-state NMR (SSNMR) spectroscopy is applied to characterise a variety of low oxidation-state indium(i) compounds. 115In static wideline SSNMR spectra of several In(i) complexes were acquired with moderate and ultra-high field NMR spectrometers (9.4 and 21.1 T, respectively). 115In MAS NMR spectra were obtained with moderate and ultra-fast (>60 kHz) spinning speeds at 21.1 T. In certain cases, variable-temperature (VT) 115In SSNMR experiments were performed to study dynamic behaviour and phase transitions. The indium electric field gradient (EFG) and chemical shift (CS) tensor parameters were determined from the experimental spectra. With the aid of first principles calculations, the tensor parameters and orientations are correlated to the structure and symmetry of the local indium environments. In addition, calculations aid in proposing structural models for samples where single crystal X-ray structures could not be obtained. The rapidity with which high quality 115In SSNMR spectra can be acquired at 21.1 T and the sensitivity of the 115In NMR parameters to the indium environment suggest that 115In SSNMR is a powerful probe of the local chemical environments of indium sites. This work demonstrates that 115In NMR can be applied to a wide range of important materials for the purpose of increasing our understanding of structures and dynamics at the molecular/atomic level, especially for the characterisation of disordered, microcrystalline and/or multi-valence solids for which crystal structures are unavailable. This journal is © The Royal Society of Chemistry 2014.

Item Type: Article
DOI/Identification number: 10.1039/c3sc52809j
Additional information: Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - Chem. Sci. [Field not mapped to EPrints] AD - Department of Chemistry and Biochemistry, University of Windsor, Windsor, ON N9B 3P4, Canada [Field not mapped to EPrints] AD - Steacie Institute for Molecular Sciences, National Research Council Canada, Ottawa, ON K1A 0R6, Canada [Field not mapped to EPrints] AD - Department of Chemistry, University of Ottawa, Ottawa, ON K1N 6N5, Canada [Field not mapped to EPrints] AD - School of Physical Sciences, University of Kent, Canterbury Kent CT2 7NH, United Kingdom [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Uncontrolled keywords: Chemical environment, Dynamic behaviours, Electric field gradients, Experimental spectra, First-principles calculation, Single crystal x-ray structures, Structural models, Variable temperature, Electric fields, Indium, Nuclear magnetic resonance spectroscopy, Solid state physics, Spectrometers, Tensors, Indium compounds
Subjects: Q Science > QC Physics > QC176 Solid state physics
Divisions: Faculties > Sciences > School of Physical Sciences
Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Giles Tarver
Date Deposited: 07 Jul 2015 11:11 UTC
Last Modified: 29 May 2019 14:43 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/49055 (The current URI for this page, for reference purposes)
Arnold, Donna C.: https://orcid.org/0000-0003-0239-5790
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