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dc.contributor.authorPanja, Anangamohan
dc.contributor.authorJana, Narayan Ch.
dc.contributor.authorBauza, Antonio
dc.contributor.authorAdak, Sarmistha
dc.contributor.authorMwania, Tom M.
dc.contributor.authorEichhorn, David M.
dc.contributor.authorFrontera, Antonio
dc.date.accessioned2017-04-23T19:09:17Z
dc.date.available2017-04-23T19:09:17Z
dc.date.issued2017-02-23
dc.identifier.citationA. Panja, N. C. Jana, A. Bauzá, S. Adak, T. M. Mwania, D. M. Eichhorn, A. Frontera, ChemistrySelect 2017, 2, 2094en_US
dc.identifier.issn2365-6549
dc.identifier.otherWOS:000395534600010
dc.identifier.urihttp://dx.doi.org/10.1002/slct.201602007
dc.identifier.urihttp://hdl.handle.net/10057/13015
dc.descriptionClick on the DOI link to access the article (may not be free).en_US
dc.description.abstractThis report deals with the syntheses, structures, supramolecular interactions, and biomimetic catalytic activity of three new manganese(III) complexes (1-3) containing the tetrabromocatechol ligand. Three different amines were used, with the goal of introducing their protonated species into the crystal lattice as counter cations for the robust bis(tetrabromocatecholate) chelated manganese(III) anionic species. All these systems present interesting noncovalent interactions in their crystal packing, including hydrogen bonding, halogen bonding, pi stacking and anion-pi interactions. The geometrical differences (octahedral vs square pyramidal) have been analyzed by means of DFT studies, revealing that the strong anion-pi interaction of pyridine with the complex anion compensates for the absence of one apical methanol molecule in 3. All of the complexes exhibited leveling catalytic activity for aerobic oxidation of 3,5di-tert-butylcatechol. DFT calculations support the formation of a stable complex-substrate intermediate through hydrogen bonding, thereby disclosing the origin of catecholase activity of these complex anions.en_US
dc.description.sponsorshipDepartment of Science and Technology (DST), New Delhi, under FAST Track Scheme (Order No. SB/FT/CS-016/2012, dated 20/12/2013) for financial support. A. B. and A. F. thank financial support by MINECO of Spain (projects CTQ2014-57393-C2-1-P and CONSOLIDER INGENIO 2010 CSD2010-00065, FEDER funds).en_US
dc.language.isoen_USen_US
dc.publisherJohn Wiley & Sons, Inc.en_US
dc.relation.ispartofseriesChemistry Select;v.2:no.6
dc.subjectBiomitetic catalysisen_US
dc.subjectIntermediateen_US
dc.subjectManganesecatecholateen_US
dc.subjectStructuresen_US
dc.subjectSupramolecular interactionsen_US
dc.titleIntroducing supramolecular interactions into robust bis(tetrabromocatecholate) chelated manganese(III) systems and biomimetic catalytic activityen_US
dc.typeArticleen_US
dc.rights.holder© 1999 - 2017 John Wiley & Sons, Inc. All Rights Reserved.en_US


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