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 …
Study of electrocatalytic properties of metal–organic framework PCN-223 for the oxygen reduction reaction
A highly robust metal–organic framework (MOF) constructed from Zr6 oxo clusters and Fe
(III) porphyrin linkers, PCN-223-Fe was investigated as a heterogeneous catalyst for oxygen …
(III) porphyrin linkers, PCN-223-Fe was investigated as a heterogeneous catalyst for oxygen …
Electrocatalytic oxygen reduction by iron tetra-arylporphyrins bearing pendant proton relays
CT Carver, BD Matson, JM Mayer - Journal of the American …, 2012 - ACS Publications
Iron (III) meso-tetra (2-carboxyphenyl) porphine chloride (1) was investigated as a soluble
electrocatalyst for the oxygen reduction reaction (ORR) in acetonitrile with [H (DMF)+] OTf …
electrocatalyst for the oxygen reduction reaction (ORR) in acetonitrile with [H (DMF)+] OTf …
Mechanism of catalytic oxygenation of alkanes by halogenated iron porphyrins
Halogenation of an iron porphyrin causes severe saddling of the macrocyclic structure and a
large positive shift in the iron (III)/(II) redox couple. Although perhalogenated iron (II) …
large positive shift in the iron (III)/(II) redox couple. Although perhalogenated iron (II) …
Synthesis and characterization of germanium, tin, phosphorus, iron, and rhodium complexes of tris (pentafluorophenyl) corrole, and the utilization of the iron and …
L Simkhovich, A Mahammed… - … –A European Journal, 2001 - Wiley Online Library
Abstract The germanium (iv), tin (iv), and phosphorus (v) complexes of tris
(pentafluorophenyl) corrole were prepared and investigated by electrochemistry for …
(pentafluorophenyl) corrole were prepared and investigated by electrochemistry for …
Relationship among redox potentials, proton dissociation constants of pyrrolic nitrogens, and in vivo and in vitro superoxide dismutating activities of manganese (III) …
I Batinić-Haberle, I Spasojević, P Hambright… - Inorganic …, 1999 - ACS Publications
The log k cat values for the dismutation of O2•-by a series of monohydroxoiron (III) and
aquamanganese (III) porphyrins, including ortho, meta, and para isomers of 5, 10, 15, 20 …
aquamanganese (III) porphyrins, including ortho, meta, and para isomers of 5, 10, 15, 20 …
Substituent effects in iron porphyrin catalysts for the hydrogen evolution reaction
N Heppe, C Gallenkamp, S Paul… - … A European Journal, 2023 - Wiley Online Library
For a future hydrogen economy, non‐precious metal catalysts for the water splitting
reactions are needed that can be implemented on a global scale. Metal‐nitrogen‐carbon …
reactions are needed that can be implemented on a global scale. Metal‐nitrogen‐carbon …
Quick and Easy Method to Dramatically Improve the Electrochemical CO2 Reduction Activity of an Iron Porphyrin Complex
The development of artificial molecular catalysts for CO2 reduction is the key to solving
energy and environmental problems. Although chemical modifications can generally …
energy and environmental problems. Although chemical modifications can generally …
Light-controlled switching of the spin state of iron (III)
S Shankar, M Peters, K Steinborn, B Krahwinkel… - Nature …, 2018 - nature.com
Controlled switching of the spin state of transition metal ions, particularly of FeII and FeIII, is
a prerequisite to achieve selectivity, efficiency, and catalysis in a number of metalloenzymes …
a prerequisite to achieve selectivity, efficiency, and catalysis in a number of metalloenzymes …
Valence-tautomerism in high-valent iron and manganese porphyrins
R Weiss, V Bulach, A Gold, J Terner… - JBIC Journal of Biological …, 2001 - Springer
Iron and manganese hemes are" high-valent" when the valence state of the metal exceeds
III. Redox chemistry of the high valent metal complexes involves redistribution of holes and …
III. Redox chemistry of the high valent metal complexes involves redistribution of holes and …