ArticleChemistry (Weinheim an der Bergstrasse, Germany)2021
PorphyStruct: A Digital Tool for the Quantitative Assignment of Non-Planar Distortion Modes in Four-Membered Porphyrinoids.
Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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9 citing papers in PubMed.
- A Blood-Brain Barrier-Penetrant Ag(III) Corrole Compound Rescues Alzheimer's Disease Pathology by Targeting Aβ42-Induced Oxidative Stress.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Unsymmetrical β-Fused Blatter Radical Zinc Phthalocyanines.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- Determining molecular structure, coordination geometry, and molecular symmetry using a continuous symmetry operation measure software.Nature communications · 2025Article
- Molecular Engineering for Enhancing the Dielectric and Optoelectronic Properties of Antimony Corroles.Small science · 2025Article
- Data-Driven Insights into Porphyrin Geometry: Interpretable AI for Non-Planarity and Aromaticity Analyses.Journal of chemical information and modeling · 2025Article
- Complexes of N-Confused Porphyrin Derivatives as Ortho-Metallating Ligands. Synthesis, Structure, Redox Properties, and Chirality.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
- Calix[4]pyrrolato-germane-(thf)Journal of the American Chemical Society · 2023Article
- Helicity Modulation in NIR-Absorbing Porphyrin-Ryleneimides.Angewandte Chemie (International ed. in English) · 2022Article
- PorphyStruct: A Digital Tool for the Quantitative Assignment of Non-Planar Distortion Modes in Four-Membered Porphyrinoids.Chemistry (Weinheim an der Bergstrasse, Germany) · 2021Article
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Abstract
PorphyStruct, a new digital tool for the analysis of non-planar distortion modes of different porphyrinoids, and its application to corrole structures is reported. The program makes use of the normal-coordinate structure decomposition technique (NSD) and employs sets of normal modes equivalent to those established for porphyrins in order to describe the out-of-plane dislocation pattern of perimeter atoms from corroles, norcorroles, porphycenes and other porphyrinoids quantitatively and in analogy to the established terminology. A comparative study of 17 porphyrin structures shows very similar results to the original NSD analysis and no systematic error. Application to corroles is successful and reveals the necessity to implement an extended basis of normal modes for a large share of experimental structures. The results frequently show the concomitant occurence of several modes but remain interpretable. For group XI metal corroles the phenomenon of supersaddling was unravelled, allowing for more in-depths discussions of structure-function correlations.
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