{"paper":{"title":"Chemistry in confined spaces: Reactivity of the Zn-MOF-74 channels","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"physics.chem-ph","authors_text":"C. A. Arter, E. M. A. Fuentes-Fernandez, I. J. Chabal, J. Li, K. Tan, S. Zuluaga, T. Thonhauser","submitted_at":"2016-08-25T19:57:19Z","abstract_excerpt":"Using infrared spectroscopy combined with ab initio methods we study reactions of H$_2$O and CO inside the confined spaces of Zn-MOF-74 channels. Our results show that, once the water dissociation reaction H$_2$O$\\;\\rightarrow\\;$OH+H takes place at the metal centers, the addition of 40 Torr of CO at 200 $^{\\circ}$C starts the production of formic acid via OH+H+CO$\\;\\rightarrow\\;$HCO$_2$H. Our detailed analysis shows that the overall reaction H$_2$O+CO$\\;\\rightarrow\\;$HCO$_2$H takes place in the confinement of MOF-74 without an external catalyst, unlike the same reaction on flat surfaces. This "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1609.01201","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}