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Solid‐State NMR and DFT Studies on the Formation of Well‐Defined Silica‐Supported Tantallaaziridines: From Synthesis to Catalytic Application
Author(s) -
Hamzaoui Bilel,
Pelletier Jérémie D. A.,
AbouHamad Edy,
Chen Yin,
El Eter Mohamed,
Chermak Edrisse,
Cavallo Luigi,
Basset JeanMarie
Publication year - 2016
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201504439
Subject(s) - catalysis , chemistry , aryl , nuclear magnetic resonance spectroscopy , alkyl , amine gas treating , ligand (biochemistry) , spectroscopy , elemental analysis , medicinal chemistry , fourier transform infrared spectroscopy , polymer chemistry , stereochemistry , inorganic chemistry , organic chemistry , chemical engineering , biochemistry , receptor , physics , quantum mechanics , engineering
Single‐site, well‐defined, silica‐supported tantallaaziridine intermediates [≡Si‐O‐Ta(η 2 ‐NRCH 2 )(NMe 2 ) 2 ] [R=Me ( 2 ), Ph ( 3 )] were prepared from silica‐supported tetrakis(dimethylamido)tantalum [≡Si‐O‐Ta(NMe 2 ) 4 ] ( 1 ) and fully characterized by FTIR spectroscopy, elemental analysis, and 1 H, 13 C HETCOR and DQ TQ solid‐state (SS) NMR spectroscopy. The formation mechanism, by β‐H abstraction, was investigated by SS NMR spectroscopy and supported by DFT calculations. The C−H activation of the dimethylamide ligand is favored for R=Ph. The results from catalytic testing in the hydroaminoalkylation of alkenes were consistent with the N ‐alkyl aryl amine substrates being more efficient than N ‐dialkyl amines.
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