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dc.contributor.authorTerner, James
dc.contributor.authorKolle Ekaney, Thomas
dc.contributor.authorVazquez Lima, Hugo
dc.contributor.authorGhosh, Abhik
dc.date.accessioned2022-09-05T09:50:13Z
dc.date.available2022-09-05T09:50:13Z
dc.date.issued2022-03-03
dc.description.abstractSoret-excited resonance Raman spectra (λ<sub>ex</sub> 413.1 nm) were acquired for manganese(III) and gold(III) tris(pentafluorophenyl)corrole, each as four different isotopomeric samples: natural abundance, fully pyrrole-<sup>15</sup>N-substituted, fully meso<sup>13</sup>C-substituted, and fully pyrrole-<sup>15</sup>N-meso<sup>13</sup>C-substituted. The spectra were modeled with density functional theory-based vibrational analyses, which in general did an excellent job of reproducing both the absolute frequencies and isotope shifts. The results led to the assignment and visualization of approximately 10 prominent Raman bands. A key finding was that the bands could be categorized into two broad classes: Class A, exhibiting large <sup>15</sup>N isotope shifts, assignable to vibrations with predominant C<sub>α</sub>-N character, and Class B, exhibiting large meso<sup>13</sup>C isotope shifts, assignable to vibrations with predominant C<sub>α</sub>-C<sub>meso</sub> character. Preliminary evidence suggests that the class A bands may serve as core size markers, while class B bands may correlate with the innocence or otherwise of the corrole macrocycle.en_US
dc.identifier.citationTerner, Kolle Ekaney, Vazquez Lima, Ghosh. Structure-sensitive marker bands of metallocorroles: A resonance Raman study of manganese and gold corrole derivatives. Journal of Inorganic Biochemistry. 2022;231en_US
dc.identifier.cristinIDFRIDAID 2029047
dc.identifier.doi10.1016/j.jinorgbio.2022.111783
dc.identifier.issn0162-0134
dc.identifier.issn1873-3344
dc.identifier.urihttps://hdl.handle.net/10037/26636
dc.language.isoengen_US
dc.publisherElsevieren_US
dc.relation.journalJournal of Inorganic Biochemistry
dc.rights.accessRightsopenAccessen_US
dc.rights.holderCopyright 2022 The Author(s)en_US
dc.titleStructure-sensitive marker bands of metallocorroles: A resonance Raman study of manganese and gold corrole derivativesen_US
dc.type.versionpublishedVersionen_US
dc.typeJournal articleen_US
dc.typeTidsskriftartikkelen_US
dc.typePeer revieweden_US


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