ArticleMolecules (Basel, Switzerland)2023
Aromatic Character and Relative Stability of Pyrazoloporphyrin Tautomers and Related Protonated Species: Insights into How Pyrazole Changes the Properties of Carbaporphyrinoid Systems.
Article in Molecules (Basel, Switzerland), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Synthesis of Phenaliporphyrin, a PAH-Porphyrin Hybrid, from an Acenaphthene-Fused Cyclopropane Dialdehyde.The Journal of organic chemistry · 2025Article
- Synthesis and Spectroscopic Characterization of Bis(thiadiazolo)benzoporphyrinoids: Insights into the Properties of Porphyrin-Type Systems with Strongly Electron-Withdrawing β,β'-Fused Rings.Molecules (Basel, Switzerland) · 2025Article
- Assessment of Conjugation Pathways inThe Journal of organic chemistry · 2024Article
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2 authors.
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Abstract
Pyrazoloporphyrins (PzPs), which are porphyrin analogues incorporating a pyrazole subunit, are examples of carbaporphyrin-type structures with a carbon atom within the macrocyclic cavity. DFT calculations were used to assess a series of 17 PzP tautomers, nine monoprotonated species and four related diprotonated PzP dications. The geometries of the structures were optimized using M06-2X/6-311++G(d,p), and the relative stabilities computed with the cc-PVTZ functional. Nucleus independent chemical shifts, both NICS(0) and NICS(1)
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