Computational discovery of transition-metal complexes: from high-throughput screening to machine learning
Transition-metal complexes are attractive targets for the design of catalysts and functional
materials. The behavior of the metal–organic bond, while very tunable for achieving target …
materials. The behavior of the metal–organic bond, while very tunable for achieving target …
Transition metal complexes with bulky 4, 6-di-tert-butyl-N-aryl (alkyl)-o-iminobenzoquinonato ligands: Structure, EPR and magnetism
Coordination compounds based on the substituted o-iminoquinonato, o-
iminosemiquinonato and o-amidophenolato ligands with transition metal ions are described …
iminosemiquinonato and o-amidophenolato ligands with transition metal ions are described …
Manifestations of noninnocent ligand behavior
W Kaim - Inorganic Chemistry, 2011 - ACS Publications
The potential of redox-active ligands to behave “noninnocently” in transition-metal
coordination compounds is reflected with respect to various aspects and situations. These …
coordination compounds is reflected with respect to various aspects and situations. These …
Unconventional mixed‐valent complexes of ruthenium and osmium
W Kaim, GK Lahiri - Angewandte Chemie International Edition, 2007 - Wiley Online Library
Recent developments have helped to extend the repertoire of mixed‐valent ruthenium and
osmium complexes beyond conventional systems. This extension has been achieved by …
osmium complexes beyond conventional systems. This extension has been achieved by …
Metal‐to‐Ligand Charge Transfer Induced Valence Tautomeric Forms of Non‐Innocent 2, 2′‐Azobis (benzothiazole) in Ruthenium Frameworks
The impact of metal‐to‐ligand charge transfer towards the redox noninnocence of 2, 2′‐
azobis (benzothiazole)(abbt) has been highlighted on coordination to {RuII (acac) 2}(acac …
azobis (benzothiazole)(abbt) has been highlighted on coordination to {RuII (acac) 2}(acac …
Concepts for metal complex chromophores absorbing in the near infrared
W Kaim - Coordination Chemistry Reviews, 2011 - Elsevier
The near-infrared (750–2500nm) region of the electromagnetic spectrum has received
enhanced attention recently from the areas of atmospheric and analytical chemistry, from …
enhanced attention recently from the areas of atmospheric and analytical chemistry, from …
Ruthenium complexes with non-innocent ligands: electron distribution and implications for catalysis
Ruthenium complexes with the non-innocent ligands (NILs) benzoquinone,
iminobenzoquinone and benzoquinonediimine and their redox derivatives exhibit intriguing …
iminobenzoquinone and benzoquinonediimine and their redox derivatives exhibit intriguing …
“Oxidative Addition” to a zirconium (IV) redox-active ligand complex
KJ Blackmore, JW Ziller, AF Heyduk - Inorganic chemistry, 2005 - ACS Publications
A strategy to enable reactivity analogous to oxidative addition is presented for d0 transition-
metal complexes. The reaction of the redox-active ligand 2, 4-di-tert-butyl-6-tert …
metal complexes. The reaction of the redox-active ligand 2, 4-di-tert-butyl-6-tert …
[HTML][HTML] Valence tautomerism: More actors than just electroactive ligands and metal ions
E Evangelio, D Ruiz-Molina - Comptes Rendus Chimie, 2008 - Elsevier
Valence tautomeric complexes combining electroactive ligands and transition metal ions are
known to exhibit two nearly degenerated electronic states (tautomers) with localized …
known to exhibit two nearly degenerated electronic states (tautomers) with localized …
Where is the spin? Understanding electronic structure and g-tensors for ruthenium complexes with redox-active quinonoid ligands
C Remenyi, M Kaupp - Journal of the American Chemical Society, 2005 - ACS Publications
Understanding the bonding in transition metal complexes with redox-active ligands is a
major challenge, for example in redox catalysis or in bioinorganic chemistry. In this work …
major challenge, for example in redox catalysis or in bioinorganic chemistry. In this work …