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Investigation of Acid Centers in MIL‐53(Al, Ga) for Brønsted‐Type Catalysis: In Situ FTIR and Ab Initio Molecular Modeling
Author(s) -
Ravon Ugo,
Chaplais Gérald,
Chizallet Céline,
Seyyedi Behnam,
Bonino Francesca,
Bordiga Silvia,
Bats Nicolas,
Farrusseng David
Publication year - 2010
Publication title -
chemcatchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.201000055
Subject(s) - brønsted–lowry acid–base theory , protonation , catalysis , chemistry , adsorption , fourier transform infrared spectroscopy , ab initio , alkylation , substrate (aquarium) , in situ , ab initio quantum chemistry methods , molecule , organic chemistry , chemical engineering , ion , oceanography , engineering , geology
Run of the MIL: In contrast to MIL‐53(Al), IM‐19 (MIL‐53 (Ga)) is extremely active and selective for the alkylation of aromatics. The reaction proceeds through the protonation of the aromatic substrate. CO adsorption and molecular modeling show that the bridging μ 2 ‐OH of IM‐19 exhibits stronger Brønsted‐type acidity than does MIL‐53(Al).