@article{5ec58bbf64b449c385007f529c9e9f12,
title = "Mapping-Out Catalytic Processes in a Metal–Organic Framework with Single-Crystal X-ray Crystallography",
abstract = "Single-crystal X-ray crystallography is employed to characterize the reaction species of a full catalytic carbonylation cycle within a MnII-based metal–organic framework (MOF) material. The structural insights explain why the Rh metalated MOF is catalytically competent toward the carbonylation of MeBr but only affords stoichiometric turn-over in the case of MeI. This work highlights the capability of MOFs to act as platform materials for studying single-site catalysis in heterogeneous systems.",
keywords = "MOFs, carbonylation, heterogeneous catalysis, rhodium complexes, structure elucidation",
author = "Alexandre Burgun and Coghlan, {Campbell J.} and Huang, {David M.} and Wenqian Chen and Satoshi Horike and Susumu Kitagawa and Alvino, {Jason F.} and Metha, {Gregory F.} and Sumby, {Christopher J.} and Doonan, {Christian J.}",
note = "Funding Information: C.J.D., C.J.S., and D.M.H. gratefully acknowledge the Australian Research Council for funding (DP160103234). C.J.D. would like to thank the JSPS/AAS for a visiting professorial fellowship. Aspects of this research were undertaken on the MX1 and MX2 beamlines at the Australian Synchrotron, Victoria, Australia. D.M.H. gratefully acknowledges computational resources provided by the Australian Government through the National Computing Infrastructure under the National Computational Merit Allocation Scheme. Publisher Copyright: {\textcopyright} 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim",
year = "2017",
month = jul,
day = "10",
doi = "10.1002/anie.201611254",
language = "English",
volume = "56",
pages = "8412--8416",
journal = "Angewandte Chemie - International Edition",
issn = "1433-7851",
publisher = "John Wiley and Sons Ltd",
number = "29",
}