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Electronic structure of corrole derivatives: insights from molecular structures, spectroscopy, electrochemistry, and quantum chemical calculations
A Ghosh - Chemical Reviews, 2017 - ACS Publications
Presented herein is a comprehensive account of the electronic structure of corrole
derivatives. Our knowledge in this area derives from a broad range of methods, including UV …
derivatives. Our knowledge in this area derives from a broad range of methods, including UV …
The hyperporphyrin concept: A contemporary perspective
The Gouterman four-orbital model conceptualizes porphyrin UV–visible spectra as
dominated by four frontier molecular orbitals─ two nearly degenerate HOMOs and two …
dominated by four frontier molecular orbitals─ two nearly degenerate HOMOs and two …
Hydrogen evolution catalyzed by corrole-chelated nickel complexes, characterized in all catalysis-relevant oxidation states
Designing catalysts that are not based on precious metals remains a major research priority
worldwide, particularly for the feasible production of hydrogen gas. Given the increasing …
worldwide, particularly for the feasible production of hydrogen gas. Given the increasing …
Cobalt Corrole Catalyst for Efficient Hydrogen Evolution Reaction from H2O under Ambient Conditions: Reactivity, Spectroscopy, and Density Functional Theory …
The feasibility of a hydrogen-based economy relies very much on the availability of catalysts
for the hydrogen evolution reaction (HER) that are not based on Pt or other noble elements …
for the hydrogen evolution reaction (HER) that are not based on Pt or other noble elements …
Seven clues to ligand noninnocence: the metallocorrole paradigm
Conspectus Noninnocent ligands do not allow an unambiguous definition of the oxidation
state of a coordinated atom. When coordinated, the ligands also cannot be adequately …
state of a coordinated atom. When coordinated, the ligands also cannot be adequately …
Electronic Absorption, Resonance Raman, and Electrochemical Studies of Planar and Saddled Copper(III) meso-Triarylcorroles. Highly Substituent-Sensitive Soret …
IH Wasbotten, T Wondimagegn… - Journal of the American …, 2002 - ACS Publications
We present here a first systematic study of substituent effects in metallocorroles, based on
electronic absorption, resonance Raman (RR), and infrared (IR) spectroscopic studies and …
electronic absorption, resonance Raman (RR), and infrared (IR) spectroscopic studies and …
The structural chemistry of metallocorroles: combined X-ray crystallography and quantum chemistry studies afford unique insights
Although they share some superficial structural similarities with porphyrins, corroles,
trianionic ligands with contracted cores, give rise to fundamentally different transition metal …
trianionic ligands with contracted cores, give rise to fundamentally different transition metal …
Structural, Electrochemical, and Photophysical Properties of Gallium(III) 5,10,15‐Tris(pentafluorophenyl)corrole
High quantum yields are found for the prototype metallocorrole 1, which is readily prepared
from GaCl3 and tris (pentafluorophenyl) corrole. The crystallographic and electronic …
from GaCl3 and tris (pentafluorophenyl) corrole. The crystallographic and electronic …
High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report
A Ghosh, PR Taylor - Current opinion in chemical biology, 2003 - Elsevier
Although DFT is the unrivaled method of choice for quantum chemical studies of
bioinorganic problems, little is known about its ability to predict the energetics of the low …
bioinorganic problems, little is known about its ability to predict the energetics of the low …
Photophysical characterization of free-base corroles, promising chromophores for light energy conversion and singlet oxygen generation
A detailed photophysical characterization of a series of six free-base corroles with different
substitution patterns at meso-positions is presented. In air-free toluene at 295 K, the …
substitution patterns at meso-positions is presented. In air-free toluene at 295 K, the …