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 …

The hyperporphyrin concept: A contemporary perspective

CC Wamser, A Ghosh - JACS Au, 2022 - ACS Publications
The Gouterman four-orbital model conceptualizes porphyrin UV–visible spectra as
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

QC Chen, S Fite, N Fridman, B Tumanskii… - ACS …, 2022 - ACS Publications
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 …

Cobalt Corrole Catalyst for Efficient Hydrogen Evolution Reaction from H2O under Ambient Conditions: Reactivity, Spectroscopy, and Density Functional Theory …

B Mondal, K Sengupta, A Rana, A Mahammed… - Inorganic …, 2013 - ACS Publications
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 …

Seven clues to ligand noninnocence: the metallocorrole paradigm

S Ganguly, A Ghosh - Accounts of Chemical Research, 2019 - ACS Publications
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 …

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 …

The structural chemistry of metallocorroles: combined X-ray crystallography and quantum chemistry studies afford unique insights

KE Thomas, AB Alemayehu, J Conradie… - Accounts of chemical …, 2012 - ACS Publications
Although they share some superficial structural similarities with porphyrins, corroles,
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

J Bendix, IJ Dmochowski, HB Gray… - Angewandte Chemie …, 2000 - Wiley Online Library
High quantum yields are found for the prototype metallocorrole 1, which is readily prepared
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 …

Photophysical characterization of free-base corroles, promising chromophores for light energy conversion and singlet oxygen generation

B Ventura, A Degli Esposti, B Koszarna… - New Journal of …, 2005 - pubs.rsc.org
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 …