NDLI: A <sup>115</sup>In solid-state NMR study of low oxidation-state indium complexes

Content Provider	Royal Society of Chemistry (RSC)
Author	Ye, Eric Arnold, Donna C. Johnston, Karen E. Hamaed, Hiyam Cooper, Benjamin F. T. Terskikh, Victor V. Macdonald, Charles L. B. Schurko, Robert W.
Copyright Year	2014
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.
Starting Page	982
Ending Page	995
Page Count	14
File Format	HTM / HTML PDF
ISSN	20416520
Volume Number	5
Issue Number	3
Journal	Chemical Science
DOI	10.1039/c3sc52809j
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	X-ray crystallography Spectroscopy Chemical shift Electric field Magic angle spinning Solid-state nuclear magnetic resonance Indium Moment of inertia
Content Type	Text
Resource Type	Article
Subject	Chemistry

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