Electronic Structure of Neutral and Anionic Iron–Nitrosyl Corrole. A Multiconfigurational and Density Matrix Renormalization Group Investigation-Reference-Cited by-同舟云学术

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Electronic Structure of Neutral and Anionic Iron–Nitrosyl Corrole. A Multiconfigurational and Density Matrix Renormalization Group Investigation

Published:2020-07-27 Issue:16 Volume:59 Page:11493-11502
ISSN:0020-1669
Container-title:Inorganic Chemistry
language:en
Short-container-title:Inorg. Chem.

Author:

Pierloot Kristine¹^ORCID,Phung Quan Manh²^ORCID,Ghosh Abhik³^ORCID

Affiliation:

1. Department of Chemistry, KU Leuven, Celestijnenlaan 200F, Leuven 3001, Belgium

2. Institute of Transformative Bio-Molecules (WPI-ITbM), Nagoya University, Chikusa, Nagoya 464-8602, Japan

3. Department of Chemistry, UiT-The Arctic University of Norway, N-9037 Tromsø, Norway

Funder

KU Leuven

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.0c01312

Reference85 articles.

1. Synthesis and Electrochemistry of Iron(III) Corroles Containing a Nitrosyl Axial Ligand. Spectral Characterization of [(OEC)FeIII(NO)]n where n = 0, 1, 2, or -1 and OEC is the Trianion of 2,3,7,8,12,13,17,18-Octaethylcorrole

2. Substituent Effects on Nitrosyl Iron Corrole Complexes Fe(Ar3C)(NO)

3. The Remarkable Axial Lability of Iron(III) Corrole Complexes

4. Synthesis and Characterization of Germanium, Tin, Phosphorus, Iron, and Rhodium Complexes of Tris(pentafluorophenyl)corrole, and the Utilization of the Iron and Rhodium Corroles as Cyclopropanation Catalysts

5. Iron(III) and Iron(IV) Corroles: Synthesis, Spectroscopy, Structures, and No Indications for Corrole Radicals

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1. Unveiling the electronic and molecular structure of a trinuclear ruthenium cluster containing one nitrosyl ligand;Journal of Molecular Structure;2024-07

2. Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH)₄H]⁻ Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods;The Journal of Physical Chemistry A;2024-02-07

3. Toward a Stochastic Complete Active Space Second-Order Perturbation Theory;The Journal of Physical Chemistry A;2023-12-28

4. Local Oxidation States in {FeNO}^6–8 Porphyrins: Insights from DMRG/CASSCF–CASPT2 Calculations;Inorganic Chemistry;2023-11-27

5. Unraveling the Spin-State Energetics of FeN₄ Complexes with Ab Initio Methods;The Journal of Physical Chemistry A;2023-08-31

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