Local site symmetry and electronic structure of trialuminide and related intermetallic alloys probed by solid-state NMR

1998 ◽  
Vol 58 (6) ◽  
pp. 2988-2997 ◽  
Author(s):  
T. J. Bastow ◽  
C. T. Forwood ◽  
M. A. Gibson ◽  
M. E. Smith
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Solid State Nmr ◽  
Site Symmetry ◽  
Intermetallic Alloys ◽  
Local Site

Comprehensive Solid-State NMR Characterization of Electronic Structure in Ditechnetium Heptoxide

2010 ◽  
Vol 132 (38) ◽  
pp. 13138-13140 ◽  
Author(s):  
Herman Cho ◽  
Wibe A. de Jong ◽  
Alfred P. Sattelberger ◽  
Frédéric Poineau ◽  
Kenneth R. Czerwinski
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Solid State Nmr ◽  
Nmr Characterization

Electronic structure of a 12:7 pyrene hexafluoroantimonate salt analyzed by solid state NMR

2001 ◽  
Vol 124 (2-3) ◽  
pp. 311-315 ◽  
Author(s):  
Alexander Kaiser ◽  
Gerda Fischer ◽  
Elmar Dormann
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Solid State Nmr

scholarly journals Effect of ancillary ligand on electronic structure as probed by 51V solid-state NMR spectroscopy for vanadium–o-dioxolene complexes

CrystEngComm ◽  
2013 ◽  
Vol 15 (43) ◽  
pp. 8776 ◽  
Author(s):  
Olga Goncharova-Zapata ◽  
Pabitra B. Chatterjee ◽  
Guangjin Hou ◽  
Laurence L. Quinn ◽  
Mingyue Li ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Solid State Nmr ◽  
Ancillary Ligand ◽  
Solid State Nmr Spectroscopy

scholarly journals Original Layered OP4-(Li,Na)xCoO2 Phase: Insights on Its Structure, Electronic Structure, and Dynamics from Solid State NMR

2020 ◽  
Vol 59 (8) ◽  
pp. 5339-5349
Author(s):  
Yohan Biecher ◽  
Danielle L. Smiley ◽  
Marie Guignard ◽  
François Fauth ◽  
Romain Berthelot ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Solid State Nmr ◽  
Structure And Dynamics

2D 31P solid state NMR spectroscopy, electronic structure and thermochemistry of PbP7

2016 ◽  
Vol 235 ◽  
pp. 139-144 ◽  
Author(s):  
Christopher Benndorf ◽  
Andrea Hohmann ◽  
Peer Schmidt ◽  
Hellmut Eckert ◽  
Dirk Johrendt ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Solid State Nmr ◽  
Solid State Nmr Spectroscopy

scholarly journals C60 in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR

2020 ◽  
Vol 76 (5) ◽  
pp. 815-824
Author(s):  
Miroslaw Gilski ◽  
Piotr Bernatowicz ◽  
Arkadiusz Sakowicz ◽  
Marek P. Szymański ◽  
Aldona Zalewska ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Rotational Diffusion ◽  
Chemical Shift Anisotropy ◽  
Fullerene Molecule ◽  
Relaxation Mechanism ◽  
Site Symmetry ◽  
Scanning Calorimetry ◽  
X Ray Crystallography ◽  
Rotational Diffusion Coefficients

A supramolecular complex, formed by encapsulation of C60 fullerene in a molecular container built from two resorcin[4]arene rims zipped together by peptidic arms hydrogen bonded into a cylindrical β-sheet, was studied by X-ray crystallography, solid-state and solution NMR, EPR spectroscopy and differential scanning calorimetry (DSC). The crystal structure, determined at 100 K, reveals that the complex occupies 422 site symmetry, which is compatible with the molecular symmetry of the container but not of the fullerene molecule, which has only 222 symmetry. The additional crystallographic symmetry leads to a complicated but discrete disorder, which could be resolved and modelled using advanced features of the existing refinement software. Solid-state NMR measurements at 184–333 K indicate that the thermal motion of C60 in this temperature range is fast but has different activation energies at different temperatures, which was attributed to a phase transition, which was confirmed by DSC. Intriguingly, the activation energy for reorientations of C60 in the solid state is very similar for the free and encaged molecules. Also, the rotational diffusion coefficients seem to be very similar or even slightly higher for the encaged fullerene compared to the free molecule. We also found that chemical shift anisotropy (CSA) is not the main relaxation mechanism for the 13C spins of C60 in the studied complex.

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