Methodological survey of simplified TD-DFT methods for fast and accurate interpretation of UV–Vis–NIR spectra of phthalocyanines

AG Martynov, J Mack, AK May, T Nyokong… - ACS …, 2019 - ACS Publications
A methodological survey of density functional theory (DFT) methods for the prediction of UV–
visible (vis)–near-infrared (NIR) spectra of phthalocyanines is reported. Four methods …

Magnetic Circular Dichroism of Porphyrinoid Silver Complexes: Evidence of the Electronic Structure Inversion upon Protonation of the N-Confused Core

DE Nevonen, JC Wagner, C Brückner… - The Journal of …, 2023 - ACS Publications
We report a systematic investigation of a series of Ag (II) and Ag (III) complexes of porphyrins
and their analogues using UV–vis magnetic circular dichroism (MCD) spectroscopies and …

Photophysical Exploration of Two Isomers of Octaethyltrioxopyrrocorphin

S Bhattacharya, DE Nevonen, AJ Auty… - The Journal of …, 2023 - ACS Publications
The introduction of three β-oxosubstituents to octaethylporphyrin by means of an oxidation/
rearrangement reaction generates the trioxopyrrocorphin chromophore. Pyrrocorphins …

Preparation, X-ray structures, spectroscopic, and redox properties of di-and trinuclear iron–zirconium and iron–hafnium porphyrinoclathrochelates

SV Dudkin, NR Erickson, AV Vologzhanina… - Inorganic …, 2016 - ACS Publications
The first hybrid di-and trinuclear iron (II)–zirconium (IV) and iron (II)–hafnium (IV)
macrobicyclic complexes with one or two apical 5, 10, 15, 20-tetraphenylporphyrin …

Structural and Photophysical Characterization of All Five Constitutional Isomers of the Octaethyl‐β, β′‐dioxo‐bacterio‐and‐isobacteriochlorin Series

C Brückner, N Chaudhri, DE Nevonen… - … A European Journal, 2021 - Wiley Online Library
It is well‐known that treatment of β‐octaethylporphyrin with H2O2/conc. H2SO4 converts it to
a β‐oxochlorin as well as all five constitutional isomers of the corresponding β, β'‐dioxo …

Naked-Eye-Detectable Supramolecular Sensing System for Glutaric Acid and Isophthalic Acid

A Muranaka, H Ban, M Naito… - Bulletin of the …, 2022 - academic.oup.com
We report a molecular sensor, comprising a porphyrin core and four 2-aminoquinolyl groups
at meso positions, for the naked-eye detection of glutaric acid and isophthalic acid, both …

Aromaticity versus regioisomeric effect of β-substituents in porphyrinoids

Y Yao, Y Rao, Y Liu, L Jiang, J Xiong, YJ Fan… - Physical Chemistry …, 2019 - pubs.rsc.org
The photophysical properties of naturally occurring chlorophylls depend on the
regioisomeric nature of the β-pyrrolic substituents. Such systems are the “gold standard” by …

Origins of the electronic modulations of bacterio-and isobacteriodilactone regioisomers

MJ Guberman-Pfeffer, RF Lalisse… - The Journal of …, 2019 - ACS Publications
Advances in the utilization of porphyrinoids for photomedicine, catalysis, and artificial
photosynthesis require a fundamental understanding of the relationships between their …

Electronic Structures of an Annulated meso-Tetraphenylchlorin and a Related Chlorin Analogue Incorporating an 8-Membered Ring through MCD Spectroscopy and …

DE Nevonen, AO Atoyebi, MP Luciano… - The Journal of …, 2024 - ACS Publications
Herein, we compare the electronic structures of the metal-free and nickel (II) derivatives of
an annulated meso-tetraphenyldihydroxychlorin with those of the (metallo) chlorin …

Proton‐Dependent Switching of a Novel Amino Chlorin Derivative as a Fluorescent Probe and Photosensitizer for Acidic Media

DA Heredia, AM Durantini, AM Sarotti… - … A European Journal, 2018 - Wiley Online Library
A novel chlorin derivative (TPCF20‐NMe2) has been synthesized as a syn adduct of a
pyrrolidine‐fused chlorin bearing a C‐linked N, N‐dimethylaminophenyl residue. The …