Theoretical screening of corrole-based covalent organic framework metal single-atom catalysts for ORR and OER DOI

Yingjie Qu,

Bin Li,

Hangping Chen

et al.

Journal of Porphyrins and Phthalocyanines, Journal Year: 2024, Volume and Issue: 28(05), P. 272 - 281

Published: May 1, 2024

Corrole-based covalent organic frameworks (COFs) are newly developing porous crystalline materials in the catalysis field due to their thermal stability, and ease of being functionalized by high-valent metal at corrole center. In this work, based on monolayer TPAPC-COF (m-TPAPC-COF), a series stable corrole-based 2D SACs M 1 @TPAPC-COFs (M = Fe, Co, Ni, Cu, Ru, Rh, Os, Ir, Pt, Au) have been obtained screening using density functional theory (DFT) calculations. As O 2 can be adsorbed activated Ir), we predicted two types non-noble COFs SACs, one is bifunctional SAC Fe @TPAPC-COF with high electrocatalytic activity for ORR/OER other Co OER, respectively. This work demonstrates that COF promising material constructing high-performance ORR OER.

Language: Английский

Milestones and Most Recent Advances in Corrole’s Science and Technology DOI
Atif Mahammed, Zeev Gross

Journal of the American Chemical Society, Journal Year: 2023, Volume and Issue: 145(23), P. 12429 - 12445

Published: May 31, 2023

The renaissance in corrole chemistry is strongly correlated with synthetic breakthroughs that started 1999, regarding the one-pot rather than multistep syntheses of this heme-like N4 macrocycle. This largely improved accessibility allowed for technological advances wherein corresponding metal complexes have since been introduced as key elements. Great emphasis was devoted to elucidation unique fundamental features distinguish ligands, among them outstanding electron donation (σ by N atoms and π macrocycle) transition metals chelated them. Such investigations remain crucial enabling by-demand tuning metallocorrole properties distinctly different applications. These range from catalysis organic reactions, through bioimaging disease prevention/treatment strategies, photo- electrocatalysis clean energy. Surveyed are original reports impacted these developments, together some most recent advances.

Language: Английский

Citations

22

Oxido-Molybdenum(V) Corroles as Robust Catalysts for Oxidative Bromination and Selective Epoxidation Reactions in Aqueous Media under Mild Conditions DOI
Inderpal Yadav, Ved Prakash, Mannar R. Maurya

et al.

Inorganic Chemistry, Journal Year: 2023, Volume and Issue: 62(13), P. 5292 - 5301

Published: March 23, 2023

Two new meso-substituted oxido-molybdenum corroles were synthesized and characterized by various spectroscopic techniques. In the thermogram, MoO[TTC] (1) exhibited excellent thermal stability up to 491 °C while MoO[TNPC] (2) good 318 °C. The oxidation states of molybdenum(V) verified electron paramagnetic resonance (EPR) spectroscopy an axial compression with dxy1 configuration. Oxido-molybdenum(V) complexes utilized for selective epoxidation olefins high TOF values (2066-3287 h-1) in yields a CH3CN/H2O (3:2, v/v) mixture presence hydrogen peroxide as green oxidant NaHCO3 promoter. oxidative bromination catalytic activity oxido-molybdenum(V) aqueous medium has been reported first time. Surprisingly, biomimics vanadium bromoperoxidase (VBPO) enzyme remarkably (36 988-61 646 p-cresol other phenol derivatives. Catalyst higher better than catalyst due electron-withdrawing nitro groups evident from cyclic voltammetric studies.

Language: Английский

Citations

19

Cobalt corroles: Synthesis and applications DOI

Jyoti,

Jongkeol An, Donghyeon Kim

et al.

Coordination Chemistry Reviews, Journal Year: 2024, Volume and Issue: 511, P. 215869 - 215869

Published: April 18, 2024

Language: Английский

Citations

8

Symmetrically Functionalized Copper and Silver Corrole‐Bis‐Tetracyanobutadiene Push‐Pull Conjugates: Efficient Population of Triplet States via Charge Transfer DOI Creative Commons
Inderpal Yadav, Jatan K. Sharma, Muniappan Sankar

et al.

Chemistry - A European Journal, Journal Year: 2023, Volume and Issue: 29(41)

Published: May 3, 2023

Copper and silver tritolylcorroles (TTC) are symmetrically functionalized to carry two tetracyanobutadiene (TCBD) entities via [2+2] cycloaddition-retroeletrocyclization reaction involving ethynyl corroles with an electron acceptor, tetracyanoethylene (TCNE) in excellent yields, as the first examples of corrole-TCBD push-pull systems. The strong effect resulted charge polarization ground state resulting a considerable hypsochromic shift spectrum extending it into near-IR region. Electrochemical studies coupled computational revealed interactions between TCBD corrole π-system degree such was found depend on metal ion present cavity. Energy considerations suggested transfer (CT) from S2 or vibrationally hot S1 but not relaxed case CuTTC(TCBD)2 while CT occur all these states AgTTC(TCBD)2 . Additionally, high-energy populate low-lying triplet states. Systematic femtosecond pump-probe provided ultimate proof for occurrence excited function excitation wavelength followed by efficient population study brings out significance efficiently populating rather unusual copper carrying entities.

Language: Английский

Citations

11

Metalloporphyrins as Building Blocks for Quantum Information Science DOI Creative Commons
Fabio Santanni, Alberto Privitera

Advanced Optical Materials, Journal Year: 2024, Volume and Issue: 12(18)

Published: May 17, 2024

Abstract The intrinsic quantum nature of molecules opens exciting opportunities for developing the field information science. In this context, porphyrins stand out as ideal building blocks technologies thanks to their unique optical and electrical properties well capacity accommodate metal atoms ions. This review bridges chemistry physics porphyrins, providing an overview recent advances in porphyrin‐based molecular qubits. Starting from qubits, explores potential porphyrin units combine, leading formation logic gates hierarchical higher‐dimensional structures. Next, exploitation porphyrins' photophysical realizing long‐lived high spin states is examined. These are promising photogeneration multi‐level systems initialization control With a critical eye on current state‐of‐the‐art, elucidates future perspectives advancing technologies.

Language: Английский

Citations

4

Regulating Steric Effect of Cobalt Corroles for Promoted Oxygen Electrocatalysis DOI
Yuhan Xu,

Xiaotong Jin,

Jieling Zhang

et al.

ACS Catalysis, Journal Year: 2024, Volume and Issue: unknown, P. 14350 - 14355

Published: Sept. 13, 2024

Language: Английский

Citations

4

Controlling the Electron-conductive pathways of CoIIItriarylcorroles on the gold electrodes surface and their Electrocatalyzed hydrogen evolutions DOI

Lin Qian,

Lihua Li, Minzhi Li

et al.

Inorganica Chimica Acta, Journal Year: 2025, Volume and Issue: unknown, P. 122694 - 122694

Published: April 1, 2025

Language: Английский

Citations

0

The role of corroles in modern cancer therapy: innovation and prospects DOI

Laiba Javaid,

Huma Hameed, Mahtab Ahmad Khan

et al.

BioMetals, Journal Year: 2025, Volume and Issue: unknown

Published: April 23, 2025

Language: Английский

Citations

0

Synthesis, Spectral, Redox, and Sensing Studies of β-Dicyanovinyl-Appended Corroles and Their Metal Complexes DOI
Inderpal Yadav, W. Ryan Osterloh, Karl M. Kadish

et al.

Inorganic Chemistry, Journal Year: 2023, Volume and Issue: 62(20), P. 7738 - 7752

Published: May 5, 2023

A new family of β-dicyanovinyl (DCV)-appended corroles represented as MTPC(MN) (where M = 3H, Cu, Ag, and Co(PPh3) MN malononitrile TPC 5,10,15-triphenylcorrole) were synthesized starting from the free base mono β-formyl corrole, H3TPC(CHO), characterized along with their respective MTPC(CHO) MTPC complexes to spectroscopic electrochemical properties in nonaqueous media. Comparisons between two series demonstrate a pronounced substituent effect β-DCV group on physicochemical making derivatives substantially easier reduce more difficult oxidize than formyl or unsubstituted corroles. In addition, colorimetric spectral detection 11 different anions (X) form tetrabutylammonium salts (TBAX, X PF6-, OAc-, H2PO4-, CN-, HSO4-, NO3-, ClO4-, F-, Cl-, Br-, I-) also investigated Of anions, only CN- was found induce changes UV-vis 1H NMR spectra metallocorroles. This data revealed that CuTPC(MN) AgTPC(MN) act chemodosimeters for selective cyanide ion via nucleophilic attack at vinylic carbon DCV substituent, while (PPh3)CoTPC(MN) acts chemosensor sensing axial coordination cobalt metal center. low-limit ions observed 1.69 ppm 1.17 toluene.

Language: Английский

Citations

10

Enhancing nonlinear optical responses via Methoxy Positional Isomerism in Chalcone-Based Materials DOI

S.R. Shankara,

K.M. Eshwarappa,

A. Jayarama

et al.

Materials Chemistry and Physics, Journal Year: 2023, Volume and Issue: 312, P. 128662 - 128662

Published: Nov. 13, 2023

Language: Английский

Citations

9