Publication details
Magnetic Diversity in Heteroisocorroles: Aromatic Pathways in 10-Heteroatom-Substituted Isocorroles
| Authors | |
|---|---|
| Year of publication | 2018 |
| Type | Article in Periodical |
| Magazine / Source | ACS Omega |
| MU Faculty or unit | |
| Citation | |
| Doi | http://dx.doi.org/10.1021/acsomega.8b02626 |
| Keywords | PORPHYRINOIDS; NORCORROLE; COMPLEXES; SULFUR; COPPER; ATOMS; STATE |
| Description | A recent study on magnetically induced currents in 10-isocorrole derivatives indicated that both the free-base and metal-complexed forms of the unsubstituted macro-cycle are homoaromatic. Furthermore, depending on the substituents at the 10-position, the aromatic character was found to swing between substantially homoaromatic to substantially antihomoaromatic. Heteroisocorroles, in which the saturated 10-position has been replaced by a heteroatom-containing group X, are predicted to exhibit even more dramatic variations in aromatic character, ranging from strongly aromatic (X = O, NH, PH, and S) to strongly antiaromatic (X = BH and CO). Interestingly, the experimentally studied X = SiMe2 case does not appear to sustain a significant global ring current. |
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