PMID- 31322345 OWN - NLM STAT- PubMed-not-MEDLINE LR - 20190807 IS - 1520-510X (Electronic) IS - 0020-1669 (Linking) VI - 58 IP - 15 DP - 2019 Aug 5 TI - Cycloaddition of CO(2) with an Epoxide-Bearing Oxindole Scaffold by a Metal-Organic Framework-Based Heterogeneous Catalyst under Ambient Conditions. PG - 10084-10096 LID - 10.1021/acs.inorgchem.9b01234 [doi] AB - The synthesis and characterization of a mixed ligand metal-organic framework (MOF) with good thermal and chemical stability, [Co(BDC)(L).2H(2)O].xG(n) (CoMOF-2), involving an aromatic dicarboxylate (H(2)BDC = 1,4-benzenedicarboxylic acid) and an acyl-decorated N-donor linker [L = (E)-N'-(pyridin-4-ylmethylene) isonicotinohydrazide] by various physicochemical techniques, including Single crystal X-Ray Diffraction (SXRD), are reported. The MOF showed a good affinity for CO(2) capture, and Grand Canonical Monte Carlo simulation studies exposed strong interactions of CO(2) with the functionalized N-donor ligand of the framework. CoMOF-2 and KI act as an efficient binary catalyst for the sustainable utilization of CO(2) with spiro-epoxy oxindole to spirocyclic carbonate under ambient conditions. Notably, herein we report MOF-based catalysis for the cycloaddition of oxindole-based epoxides with CO(2) for harvesting new spirocyclic carbonates. Interestingly, we could isolate and crystallize six of the spirocyclic carbonate products, and the structure of the newly synthesized molecules has been established by SXRD analysis. We present a plausible proposed catalytic mechanism through activation of the epoxide ring by the Lewis acidic/basic sites present on the framework surface that is validated by molecular modeling. FAU - Parmar, Bhavesh AU - Parmar B AUID- ORCID: 0000-0003-4263-7635 AD - Academy of Scientific and Innovative Research (AcSIR) , Ghaziabad 201 002 , India. FAU - Patel, Parth AU - Patel P AUID- ORCID: 0000-0001-9742-2784 AD - Charotar University of Science & Technology , Changa , 388 421 Anand , Gujarat , India. FAU - Pillai, Renjith S AU - Pillai RS AUID- ORCID: 0000-0003-0165-3305 AD - Department of Chemistry, Faculty of Engineering and Technology , SRM Institute of Science and Technology , Kattankulathur 603 203 , Chennai , India. FAU - Tak, Raj Kumar AU - Tak RK AUID- ORCID: 0000-0003-3726-8687 AD - Academy of Scientific and Innovative Research (AcSIR) , Ghaziabad 201 002 , India. FAU - Kureshy, Rukhsana I AU - Kureshy RI AUID- ORCID: 0000-0001-6611-7605 AD - Academy of Scientific and Innovative Research (AcSIR) , Ghaziabad 201 002 , India. AD - Charotar University of Science & Technology , Changa , 388 421 Anand , Gujarat , India. FAU - Khan, Noor-Ul H AU - Khan NH AUID- ORCID: 0000-0002-5204-5943 AD - Academy of Scientific and Innovative Research (AcSIR) , Ghaziabad 201 002 , India. AD - Charotar University of Science & Technology , Changa , 388 421 Anand , Gujarat , India. FAU - Suresh, Eringathodi AU - Suresh E AUID- ORCID: 0000-0002-1934-6832 AD - Academy of Scientific and Innovative Research (AcSIR) , Ghaziabad 201 002 , India. LA - eng PT - Journal Article DEP - 20190719 PL - United States TA - Inorg Chem JT - Inorganic chemistry JID - 0366543 SB - IM EDAT- 2019/07/20 06:00 MHDA- 2019/07/20 06:01 CRDT- 2019/07/20 06:00 PHST- 2019/07/20 06:00 [pubmed] PHST- 2019/07/20 06:01 [medline] PHST- 2019/07/20 06:00 [entrez] AID - 10.1021/acs.inorgchem.9b01234 [doi] PST - ppublish SO - Inorg Chem. 2019 Aug 5;58(15):10084-10096. doi: 10.1021/acs.inorgchem.9b01234. Epub 2019 Jul 19.