Metal-modified covalent triazine frameworks (CTFs) have attracted considerable attention in heterogeneous catalysis due to their strong nitrogen-metal interactions exhibiting superior activity, stability and hence recyclability. Herein, we report on a post-metalation of a bipyridine-based CTFs with an Ir(I) complex for C–H borylation of aromatic compounds. Physical characterization of the Ir(I)-based bipyCTF catalyst in combination with density functional theory (DFT) calculations exhibit a high stabilization energy of the Ir-bipy moiety in the frameworks in the presence of B2Pin2. By using B2Pin2 as a boron source, Ir(I)@bipyCTF efficiently catalyzed the C–H borylation of various aromatic compounds with excellent activity and good recyclability. In addition, XAS analysis of the Ir(I)@bipyCTF gave clear evidence for the coordination environment of the Ir.

Immobilization of Ir(I) complex on covalent triazine frameworks for C–H borylation reactions: A combined experimental and computational study / Tahir, N.; Muniz Miranda, F.; Everaert, J.; Tack, P.; Heugebaert, T.; Leus, K.; Vincze, L.; Stevens, C. V.; Van Speybroeck, V.; Van Der Voort, P.. - In: JOURNAL OF CATALYSIS. - ISSN 0021-9517. - 371:(2019), pp. 135-143. [10.1016/j.jcat.2019.01.030]

Immobilization of Ir(I) complex on covalent triazine frameworks for C–H borylation reactions: A combined experimental and computational study

Muniz Miranda F.;
2019

Abstract

Metal-modified covalent triazine frameworks (CTFs) have attracted considerable attention in heterogeneous catalysis due to their strong nitrogen-metal interactions exhibiting superior activity, stability and hence recyclability. Herein, we report on a post-metalation of a bipyridine-based CTFs with an Ir(I) complex for C–H borylation of aromatic compounds. Physical characterization of the Ir(I)-based bipyCTF catalyst in combination with density functional theory (DFT) calculations exhibit a high stabilization energy of the Ir-bipy moiety in the frameworks in the presence of B2Pin2. By using B2Pin2 as a boron source, Ir(I)@bipyCTF efficiently catalyzed the C–H borylation of various aromatic compounds with excellent activity and good recyclability. In addition, XAS analysis of the Ir(I)@bipyCTF gave clear evidence for the coordination environment of the Ir.
2019
371
135
143
Immobilization of Ir(I) complex on covalent triazine frameworks for C–H borylation reactions: A combined experimental and computational study / Tahir, N.; Muniz Miranda, F.; Everaert, J.; Tack, P.; Heugebaert, T.; Leus, K.; Vincze, L.; Stevens, C. V.; Van Speybroeck, V.; Van Der Voort, P.. - In: JOURNAL OF CATALYSIS. - ISSN 0021-9517. - 371:(2019), pp. 135-143. [10.1016/j.jcat.2019.01.030]
Tahir, N.; Muniz Miranda, F.; Everaert, J.; Tack, P.; Heugebaert, T.; Leus, K.; Vincze, L.; Stevens, C. V.; Van Speybroeck, V.; Van Der Voort, P.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1258631
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