Refined Structure Determination of Blue-Emitting Tris(8-hydroxyquinoline) Aluminum(III) (Alq3) by the Combined Use of Cross-Polarization/Magic-Angle Spinning13C Solid-State NMR and First-Principles Calculation

2013 ◽  
Vol 117 (37) ◽  
pp. 18809-18817 ◽  
Author(s):  
Furitsu Suzuki ◽  
Tatsuya Fukushima ◽  
Masashi Fukuchi ◽  
Hironori Kaji
Keyword(s):  
Solid State ◽  
Structure Determination ◽  
First Principles ◽  
Solid State Nmr ◽  
First Principles Calculation ◽  
Magic Angle ◽  
Cross Polarization ◽  
Combined Use

Structural Properties of a Dimeric Phenylcyanamidocopper(I) Complex, [{Cu(PPh3)2(C6H5NCN)}2]

2000 ◽  
Vol 53 (12) ◽  
pp. 971 ◽  
Author(s):  
Eric W. Ainscough ◽  
Andrew M. Brodie ◽  
Peter C. Healy ◽  
Joyce M. Waters
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Structural Properties ◽  
Structure Determination ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
Cross Polarization ◽  
X Ray ◽  
Angle Spinning

The X-ray crystal structure determination of bis[-(phenylcyanamido)bis(triphenylphosphine)copper(I)], [{Cu(PPh3)2(C6H5NCN)}2], (1) is reported. The complex has a centrosymmetric dimeric structure with the phenylcyanamide ligands bridging the copper atoms in a -1,3-fashion. The structure is compared with that of the 4-methylphenylcyanamido complex, [{Cu(PPh3)2(4-MeC6H4NCN)}2] (2), and the differences observed in the Cu–P bond lengths compared with changes in the solid state 31P cross-polarization magic-angle spinning (CPMAS) spectra of the two complexes.

First-principles calculation of 11B solid-state NMR parameters of boron-rich compounds I: the rhombohedral boron modifications and B12X2 (X = P, As, O)

2021 ◽  
Vol 23 (1) ◽  
pp. 470-486
Author(s):  
Martin Ludwig ◽  
Harald Hillebrecht
Keyword(s):  
Solid State ◽  
First Principles ◽  
Solid State Nmr ◽  
Magic Angle Spinning ◽  
First Principles Calculation ◽  
Magic Angle ◽  
First Principles Calculations ◽  
Nuclear Magnetic Resonance Spectra ◽  
Angle Spinning ◽  
Rhombohedral Boron

This study reports on solid-state nuclear magnetic resonance spectra under magic angle spinning conditions of the rhombohedral structures α-B and B12P2 together with parameter sets from first principles calculations on α-B and B12X2 (X = P, As, O).

Solid-State NMR Structure Determination of Whole Anchoring Threads from the Blue Mussel Mytilus edulis

2012 ◽  
Vol 14 (1) ◽  
pp. 132-141 ◽  
Author(s):  
Alexandre A. Arnold ◽  
Frédéric Byette ◽  
Marc-Olivier Séguin-Heine ◽  
André LeBlanc ◽  
Lekha Sleno ◽  
...  
Keyword(s):  
Solid State ◽  
Mytilus Edulis ◽  
Structure Determination ◽  
Solid State Nmr ◽  
Blue Mussel ◽  
Nmr Structure ◽  
Nmr Structure Determination

scholarly journals Multidimensional high-resolution solid-state NMR for the structure determination of ^C/^N-labeled biomolecules

2000 ◽  
Vol 40 (supplement) ◽  
pp. S174
Author(s):  
Y. Todokoro ◽  
H. Yanagishita ◽  
T. Fujiwara ◽  
H. Akutsu
Keyword(s):  
Solid State ◽  
High Resolution ◽  
Structure Determination ◽  
Solid State Nmr

scholarly journals 3D structure determination of amyloid fibrils using solid-state NMR spectroscopy

Methods ◽  
2018 ◽  
Vol 138-139 ◽  
pp. 26-38 ◽  
Author(s):  
Antoine Loquet ◽  
Nadia El Mammeri ◽  
Jan Stanek ◽  
Mélanie Berbon ◽  
Benjamin Bardiaux ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Structure Determination ◽  
Solid State Nmr ◽  
Amyloid Fibrils ◽  
3D Structure ◽  
Solid State Nmr Spectroscopy ◽  
3D Structure Determination

Determination of methyl order parameters using solid state NMR under off magic angle spinning

2019 ◽  
Vol 73 (8-9) ◽  
pp. 471-475 ◽  
Author(s):  
Kai Xue ◽  
Salvatore Mamone ◽  
Benita Koch ◽  
Riddhiman Sarkar ◽  
Bernd Reif
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Magic Angle Spinning ◽  
Order Parameters ◽  
Magic Angle ◽  
Angle Spinning

Structure determination of supra-molecular assemblies by solid-state NMR: Practical considerations

2018 ◽  
Vol 109 ◽  
pp. 51-78 ◽  
Author(s):  
Jean-Philippe Demers ◽  
Pascal Fricke ◽  
Chaowei Shi ◽  
Veniamin Chevelkov ◽  
Adam Lange
Keyword(s):  
Solid State ◽  
Structure Determination ◽  
Solid State Nmr ◽  
Molecular Assemblies
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