From 18- to 20-electron ferrocene derivatives via ligand coordination

Abstract The 18-electron rule is a fundamental rule in coordination chemistry on which several revolutionary discoveries in catalysis and materials science are founded. This rule has classes of exceptions; however, it is widely taught and accepted that diamagnetic 18-electron complexes do not coordi...

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Main Authors: Satoshi Takebayashi, Jama Ariai, Sergey V. Kartashov, Robert R. Fayzullin, Tomoko Onoue, Ko Mibu, Hyung-Been Kang, Noriko Ishizu
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-61343-7
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author Satoshi Takebayashi
Jama Ariai
Sergey V. Kartashov
Robert R. Fayzullin
Tomoko Onoue
Ko Mibu
Hyung-Been Kang
Noriko Ishizu
author_facet Satoshi Takebayashi
Jama Ariai
Sergey V. Kartashov
Robert R. Fayzullin
Tomoko Onoue
Ko Mibu
Hyung-Been Kang
Noriko Ishizu
author_sort Satoshi Takebayashi
collection DOAJ
description Abstract The 18-electron rule is a fundamental rule in coordination chemistry on which several revolutionary discoveries in catalysis and materials science are founded. This rule has classes of exceptions; however, it is widely taught and accepted that diamagnetic 18-electron complexes do not coordinate to a ligand to form a 20-electron complex even as a reaction intermediate. Here, based on tunable ligand design, we report the formation of 20-electron ferrocene derivatives through reversible nitrogen coordination to 18-electron analogs. Through theoretical studies, we have elucidated key features that enabled this coordination chemistry and how the nitrogen coordination shifts the metal−ligand bonding characters. These 20-electron ferrocene derivatives exhibit reversible FeII/FeIII/FeIV redox chemistry under previously unattainable, mild conditions. This work highlights the previously unknown coordination chemistry of diamagnetic 18-electron complexes, which underlies the foundation for future innovations in a range of synthetic chemistry.
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institution Kabale University
issn 2041-1723
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publishDate 2025-07-01
publisher Nature Portfolio
record_format Article
series Nature Communications
spelling doaj-art-cbd3402817c34018aeb087b73b6961aa2025-08-20T03:43:22ZengNature PortfolioNature Communications2041-17232025-07-0116111110.1038/s41467-025-61343-7From 18- to 20-electron ferrocene derivatives via ligand coordinationSatoshi Takebayashi0Jama Ariai1Sergey V. Kartashov2Robert R. Fayzullin3Tomoko Onoue4Ko Mibu5Hyung-Been Kang6Noriko Ishizu7Organometallic Chemistry Group, Okinawa Institute of Science and Technology Graduate UniversityInstitute of Organic Chemistry, Justus Liebig University GiessenArbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of SciencesArbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of SciencesGraduate School of Engineering, Nagoya Institute of TechnologyGraduate School of Engineering, Nagoya Institute of TechnologyEngineering Section, Okinawa Institute of Science and Technology Graduate UniversityEngineering Section, Okinawa Institute of Science and Technology Graduate UniversityAbstract The 18-electron rule is a fundamental rule in coordination chemistry on which several revolutionary discoveries in catalysis and materials science are founded. This rule has classes of exceptions; however, it is widely taught and accepted that diamagnetic 18-electron complexes do not coordinate to a ligand to form a 20-electron complex even as a reaction intermediate. Here, based on tunable ligand design, we report the formation of 20-electron ferrocene derivatives through reversible nitrogen coordination to 18-electron analogs. Through theoretical studies, we have elucidated key features that enabled this coordination chemistry and how the nitrogen coordination shifts the metal−ligand bonding characters. These 20-electron ferrocene derivatives exhibit reversible FeII/FeIII/FeIV redox chemistry under previously unattainable, mild conditions. This work highlights the previously unknown coordination chemistry of diamagnetic 18-electron complexes, which underlies the foundation for future innovations in a range of synthetic chemistry.https://doi.org/10.1038/s41467-025-61343-7
spellingShingle Satoshi Takebayashi
Jama Ariai
Sergey V. Kartashov
Robert R. Fayzullin
Tomoko Onoue
Ko Mibu
Hyung-Been Kang
Noriko Ishizu
From 18- to 20-electron ferrocene derivatives via ligand coordination
Nature Communications
title From 18- to 20-electron ferrocene derivatives via ligand coordination
title_full From 18- to 20-electron ferrocene derivatives via ligand coordination
title_fullStr From 18- to 20-electron ferrocene derivatives via ligand coordination
title_full_unstemmed From 18- to 20-electron ferrocene derivatives via ligand coordination
title_short From 18- to 20-electron ferrocene derivatives via ligand coordination
title_sort from 18 to 20 electron ferrocene derivatives via ligand coordination
url https://doi.org/10.1038/s41467-025-61343-7
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