Solid-State NMR and DFT Studies on the Formation of Well-Defined Silica-Supported Tantallaaziridines: From Synthesis to Catalytic Application

• Published in: Chemistry : a European journal Vol. 22; no. 9; pp. 3000 - 3008
• Main Authors: Hamzaoui, Bilel, Pelletier, Jérémie D. A., Abou-Hamad, Edy, Chen, Yin, El Eter, Mohamed, Chermak, Edrisse, Cavallo, Luigi, Basset, Jean-Marie
• Format: Journal Article
• Language: English
• Published: WEINHEIM Blackwell Publishing Ltd 24.02.2016; Wiley; Wiley Subscription Services, Inc
• Subjects: Activation; Alkenes; Amines; Aromatic compounds; Catalysis; Catalysts; Chemical synthesis; Chemistry; Chemistry, Multidisciplinary; Formations; Fourier transforms; hydroamination; Infrared spectroscopy; Intermediates; Magnetic resonance spectroscopy; Mathematical analysis; metallacycles; NMR; NMR spectroscopy; Nuclear magnetic resonance; Physical Sciences; Science & Technology; Silica; Silicon dioxide; solid-state NMR spectroscopy; Spectroscopic analysis; Spectroscopy; Spectrum analysis; Substrates; supported catalysts; Tantalum; ZIRCONOCENE ETA-2-IMINE COMPLEXES; solid-state NMR spectroscopy; TANTALUM COMPLEXES; UNACTIVATED OLEFINS; supported catalysts; INTERMOLECULAR HYDROAMINOALKYLATION; DYNAMIC KINETIC RESOLUTION; hydroamination; ORDER REGULAR APPROXIMATION; CYCLIC CARBONATE; tantalum; DENSITY-FUNCTIONAL THEORY; GAUSSIAN-BASIS SETS; metallacycles; AMINO-ACID ESTERS

Single‐site, well‐defined, silica‐supported tantallaaziridine intermediates [≡Si‐O‐Ta(η2‐NRCH2)(NMe2)2] [R=Me (2), Ph (3)] were prepared from silica‐supported tetrakis(dimethylamido)tantalum [≡Si‐O‐Ta(NMe2)4] (1) and fully characterized by FTIR spectroscopy, elemental analysis, and 1H,13C HETCOR and...