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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/59439
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dc.creatorJulia Poliana da Silva Caldas Lealpt_BR
dc.creatorWerberson de Almeida Bezerrapt_BR
dc.creatorRafael Pavão das Chagaspt_BR
dc.creatorChris Hebert de Jesus Francopt_BR
dc.creatorFelipe Terra Martinspt_BR
dc.creatorAlexandre Moreira Meirelespt_BR
dc.creatorFelipe Cesar Torres Antoniopt_BR
dc.creatorPaula Homem-de-Mellopt_BR
dc.creatorThiago Teixeira Tassopt_BR
dc.creatorJorge Luiz Sônego Milanipt_BR
dc.date.accessioned2023-10-16T13:50:55Z-
dc.date.available2023-10-16T13:50:55Z-
dc.date.issued2021-
dc.citation.volume60pt_BR
dc.citation.issue16pt_BR
dc.citation.spage12263pt_BR
dc.citation.epage12273pt_BR
dc.identifier.doihttps://doi.org/10.1021/acs.inorgchem.1c01462pt_BR
dc.identifier.issn1520-510Xpt_BR
dc.identifier.urihttp://hdl.handle.net/1843/59439-
dc.description.resumoChemical fixation of CO2 to produce cyclic carbonates can be a green and atomic efficient process. In this work, a series of porphyrazines (Pzs) containing electron-withdrawing groups and central MII ions (where M = Mg, Zn, Cu, and Co) were synthesized and investigated as catalysts for the cycloaddition of CO2 to epoxides. Then, the efficiency of the Pzs was tested by varying cocatalyst type and concentration, epoxide, temperature, and pressure. MgIIPz bearing trifluoromethyl groups (1) showed the best conversion, producing, selectively, 78% of propylene cyclic carbonate (PCC), indicating that a harder and stronger Lewis acid is more effective for epoxide activation. Moreover, cocatalyst variation showed a notable effect on the reaction yields. Spectrophotometric titrations, MALDI-TOF mass spectra, and theoretical calculations suggest poisoning of the catalyst when tetrabutylammonium chloride (TBAC) and large amounts of tetrabutylammonium bromide (TBAB) were used in the system. The same was not observed for tetrabutylammonium iodide (TBAI), indicating that the metal–cocatalyst interaction may govern the reaction rate. In addition, two rare examples of crystalline structures were obtained, proving the distorted square pyramidal geometry with water molecule as axial ligand. This is one of the first studies reporting Pzs as catalysts for the chemical fixation of CO2, and we believe that the intricate balance between cocatalyst concentration and conversion efficiency shown here may aid future studies in the area.pt_BR
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológicopt_BR
dc.languageengpt_BR
dc.publisherUniversidade Federal de Minas Geraispt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentICX - DEPARTAMENTO DE QUÍMICApt_BR
dc.publisher.initialsUFMGpt_BR
dc.relation.ispartofInorganic Chemistrypt_BR
dc.rightsAcesso Restritopt_BR
dc.subjectAnionspt_BR
dc.subjectCatalystspt_BR
dc.subjectEtherspt_BR
dc.subjectIonspt_BR
dc.subjectMetalspt_BR
dc.subject.otherAnionspt_BR
dc.subject.otherCatalisadores de metalpt_BR
dc.subject.otherEterespt_BR
dc.subject.otherCompostos metálicospt_BR
dc.subject.otherQuímica inorgânicapt_BR
dc.titleMetal-cocatalyst interaction governs the catalytic activity of M II-porphyrazines for chemical fixation of CO2pt_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://pubs.acs.org/doi/10.1021/acs.inorgchem.1c01462pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-4671-8697pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-6876-3969pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-9004-0927pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-5422-198Xpt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-9507-1535pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-7049-4689pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-9362-9227pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-5661-3875pt_BR
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