ArticleACS organic & inorganic Au2022
Iridium(VII)-Corrole Terminal Carbides Should Exist as Stable Compounds.
Article in ACS organic & inorganic Au, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed.
- Porphyryne.ACS omega · 2022Article
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Scalar-relativistic DFT calculations with multiple exchange-correlation functionals and large basis sets foreshadow the existence of stable iridium(VII)-corrole terminal carbide derivatives. For the parent compound Ir[Cor](C), OLYP/STO-TZ2P calculations predict a short Ir-C bond distance of 1.69 Å, a moderately domed macrocycle with no indications of ligand noninnocence, a surprisingly low electron affinity of ∼1.1 eV, and a substantial singlet-triplet gap of ∼1.8 eV. These results, and their essential invariance with respect to the choice of the exchange-correlation functional, lead us to posit that Ir(VII)-corrole terminal carbide complexes should be isolable and indefinitely stable under ambient conditions.
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Registered trials
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