New Insights into Frustrated Lewis Pairs: Structural Investigations of Intramolecular Phosphane–Borane Adducts by Using Modern Solid-State NMR Techniques and DFT Calculations

2012 ◽  
Vol 134 (9) ◽  
pp. 4236-4249 ◽  
Author(s):  
Thomas Wiegand ◽  
Hellmut Eckert ◽  
Olga Ekkert ◽  
Roland Fröhlich ◽  
Gerald Kehr ◽  
...  
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Solid State Nmr ◽  
Frustrated Lewis Pairs ◽  
Structural Investigations ◽  
Nmr Techniques ◽  
Lewis Pairs

scholarly journals Solid-State NMR Techniques for the Structural Characterization of Cyclic Aggregates Based on Borane–Phosphane Frustrated Lewis Pairs

Molecules ◽  
2020 ◽  
Vol 25 (6) ◽  
pp. 1400 ◽  
Author(s):  
Robert Knitsch ◽  
Melanie Brinkkötter ◽  
Thomas Wiegand ◽  
Gerald Kehr ◽  
Gerhard Erker ◽  
...  
Keyword(s):  
Solid State ◽  
Structural Characterization ◽  
Solid State Nmr ◽  
Magic Angle ◽  
Frustrated Lewis Pairs ◽  
Wide Range ◽  
Nmr Techniques ◽  
Nmr Methods ◽  
Lewis Pairs

Modern solid-state NMR techniques offer a wide range of opportunities for the structural characterization of frustrated Lewis pairs (FLPs), their aggregates, and the products of cooperative addition reactions at their two Lewis centers. This information is extremely valuable for materials that elude structural characterization by X-ray diffraction because of their nanocrystalline or amorphous character, (pseudo-)polymorphism, or other types of disordering phenomena inherent in the solid state. Aside from simple chemical shift measurements using single-pulse or cross-polarization/magic-angle spinning NMR detection techniques, the availability of advanced multidimensional and double-resonance NMR methods greatly deepened the informational content of these experiments. In particular, methods quantifying the magnetic dipole–dipole interaction strengths and indirect spin–spin interactions prove useful for the measurement of intermolecular association, connectivity, assessment of FLP–ligand distributions, and the stereochemistry of adducts. The present review illustrates several important solid-state NMR methods with some insightful applications to open questions in FLP chemistry, with a particular focus on supramolecular associates.

Dihydrogen Splitting by Intramolecular Borane‐Phosphane Frustrated Lewis Pairs: A Comprehensive Characterization Strategy Using Solid State NMR and DFT Calculations

ChemPhysChem ◽  
2019 ◽  
Vol 20 (14) ◽  
pp. 1837-1849 ◽  
Author(s):  
Robert Knitsch ◽  
Thomas Özgün ◽  
Guo‐Qiang Chen ◽  
Gerald Kehr ◽  
Gerhard Erker ◽  
...  
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Solid State Nmr ◽  
Frustrated Lewis Pairs ◽  
Comprehensive Characterization ◽  
Lewis Pairs

scholarly journals The Applications of Solid-State NMR to Conducting Polymers. The Special Case on Polyaniline

Molecules ◽  
2020 ◽  
Vol 25 (3) ◽  
pp. 444 ◽  
Author(s):  
Zoran Zujovic ◽  
Paul A. Kilmartin ◽  
Jadranka Travas-Sejdic
Keyword(s):  
Solid State ◽  
Conducting Polymers ◽  
Solid State Nmr ◽  
Oxidation Products ◽  
Morphological Properties ◽  
Structural Investigations ◽  
Synthesis Conditions ◽  
Aniline Oxidation ◽  
Nmr Techniques

Polyaniline is one of the most well studied conducting polymers due to its advanced electrical, chemical, redox and morphological properties. The high conductivity of regular polyaniline, when partially oxidized and doped under acidic conditions, has been associated with the formation of unique electronic states known as polarons and bipolarons. Alternative aniline oxidation products and interesting nanotube and nanorod forms have been observed as the synthesis conditions are varied. Solid-state NMR has offered great opportunities for structural investigations and the determination of molecular dynamics in such a complex and diverse material. This review summarizes various applications of solid-state NMR techniques to polyaniline and its derivatives and the information that can be obtained by solid-state NMR.

scholarly journals Synthesis, characterization and modeling of self-assembled porphyrin nanorods

2019 ◽  
Vol 23 (11n12) ◽  
pp. 1346-1354 ◽  
Author(s):  
Danielle Laurencin ◽  
Pascal G. Yot ◽  
Christel Gervais ◽  
Yannick Guari ◽  
Sébastien Clément ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Powder Diffraction ◽  
Solid State Nmr ◽  
Molecular Level ◽  
Ion Association ◽  
Free Base ◽  
X Ray ◽  
Solid State Nmr Spectroscopy

Porphyrin nanorods were prepared by ion-association between free-base meso 5,10,15,20-tetrakis-(4-[Formula: see text]-methylpyridinium)porphyrin cations and tetraphenylborate anions. The nanorods have variable lengths (up to a few micrometers long) and diameters ([Formula: see text]50–500 nm). Their structure at the molecular level was elucidated by combining multinuclear solid state NMR spectroscopy, synchrotron X-ray powder diffraction and DFT calculations.

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