DFT Study of the CNS Ligand Effect on the Geometry, Spin-State, and Absorption Spectrum in Ruthenium, Iron, and Cobalt Quaterpyridine Complexes

DFT Study of the CNS Ligand Effect on the Geometry, Spin-State, and Absorption Spectrum in Ruthenium, Iron, and Cobalt Quaterpyridine Complexes

Bibliographic Details
Main Authors:	Arshak A. Tsaturyan, Andriy P. Budnyk, Chennan Ramalingan
Format:	Article
Language:	English
Published:	American Chemical Society 2019-06-01
Series:	ACS Omega
Online Access:	http://dx.doi.org/10.1021/acsomega.9b00921

Similar Items

Cobalt quaterpyridine complexes for highly efficient heterogeneous CO₂ reduction in aqueous media
by: Sun, Libo, et al.
Published: (2022)

Terpyridine and Quaterpyridine Complexes as Sensitizers for Photovoltaic Applications
by: Davide Saccone, et al.
Published: (2016-02-01)

The simple production of nonsymmetric quaterpyridines through Kröhnke pyridine synthesis
by: Isabelle Sasaki, et al.
Published: (2015-09-01)

A Comparative DFT Study for Ruthenium
by: Nil ERTEKİN BİNBAY
Published: (2020-06-01)

2,2′:4,4′′:4′,4′′′-Quaterpyridine: synthesis, crystal-structure description, and Hirshfeld surface analysis
by: Stephen O. Aderinto, et al.
Published: (2023-04-01)

Ruthenium Metathesis Catalysts with Imidazole Ligands
by: Peng Ma, et al.
Published: (2023-01-01)

Electrochemical Deposition of Ruthenium and Cobalt-Ruthenium Alloys From Acidic Chloride Ions Containing Baths
by: Kutyła D., et al.
Published: (2016-09-01)

Metallocene-Naphthalimide Derivatives: The Effect of Geometry, DFT Methodology, and Transition Metals on Absorption Spectra
by: Christina Eleftheria Tzeliou, et al.
Published: (2023-04-01)

Global structural optimization and growth mechanism of cobalt oxide nanoclusters by genetic algorithm with spin-polarized DFT
by: Zayed, A.O.H., et al.
Published: (2017)

Ruthenium(II) Phosphine/Picolylamine Dichloride Complexes Hydrogenation and DFT Calculations
by: Manluan Sun, et al.
Published: (2022-03-01)

Quantum Theory of Atom in Molecules Investigation Trinuclear Ruthenium: DFT Approach
by: Manal Abed Mohammed
Published: (2023-10-01)

Iridium and Ruthenium Complexes Bearing Perylene Ligands
by: Luca Mauri, et al.
Published: (2022-11-01)

N-(2-Fluorobenzyloxy)-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine
by: Chennan Ramalingan, et al.
Published: (2012-08-01)

1-(2-Chlorobenzyl)-3-methyl-2,6-diphenylpiperidine
by: Chennan Ramalingan, et al.
Published: (2012-07-01)

Synthesis, spectroscopic characterization, and DFT analysis of dichlorido(η6-p-cymene)ruthenium(II) complexes with isonicotinate-polyethylene glycol ester ligands
by: Eichhorn Thomas, et al.
Published: (2023-01-01)

Highly selective and efficient electroreduction of CO2 in water by quaterpyridine derivative‐based molecular catalyst noncovalently tethered to carbon nanotubes
by: Vikas Reddu, et al.
Published: (2022-03-01)

Synthesis and characterization of ruthenium (II) complexes with polypyridyl ligands /
by: 366140 Lau, Sheau Yong, et al.
Published: (2007)

Functionalized zinc(II) dithiocarbamate complexes: Synthesis, spectral and molecular structures of bis(N-cyclopropyl-N-4-methoxybenzyldithiocarbamato-S,S′)zinc(II) and (2,2′-bipyridine)bis(N-cyclopropyl-N-4-methoxybenzyldithiocarbamato-S,S′)zinc(II)
by: Ethiraj Sathiyaraj, et al.
Published: (2018-07-01)

Photocytotoxic Activity of Ruthenium(II) Complexes with Phenanthroline-Hydrazone Ligands
by: Priscila Pereira Silva-Caldeira, et al.
Published: (2021-04-01)

Corrosion behaviour of cobalt-based coatings with ruthenium additions in synthetic mine water
by: Silas I. Hango, et al.
Published: (2024-03-01)

Adsorbate-Induced Adatom Formation on Lithium, Iron, Cobalt, Ruthenium, and Rhenium Surfaces
by: Lang Xu, et al.
Published: (2023-07-01)

Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands
by: Srinivasan, A, et al.
Published: (2018)

DFT Quantum-Chemical Modeling Molecular Structures of Cobalt Macrocyclic Complexes with Porphyrazine or Its Benzo-Derivatives and Two Oxygen Acido Ligands
by: Oleg V. Mikhailov, et al.
Published: (2020-11-01)

DFT and TD-DFT studies of halogens adsorption on cobalt-doped porphyrin: Effect of the external electric field
by: H.M. Badran, et al.
Published: (2021-04-01)

Computational DFT data related to the redox behaviour of tris(β-diketonato)ruthenium(III) compounds
by: Jeanet Conradie
Published: (2020-06-01)

The influence of the cationic carbenes on the initiation kinetics of ruthenium-based metathesis catalysts; a DFT study
by: Magdalena Jawiczuk, et al.
Published: (2018-11-01)

Strategies to facilitate the discovery of novel CNS PET ligands
by: Lei Zhang, et al.
Published: (2016-09-01)

Electrochemistry, DFT Calculations, and Antioxidant Capability of Cobalt Cefazolin Complex
by: Elif TURKER ACAR
Published: (2022-11-01)

Iron-/Nitrogen-Doped Electrocatalytically Active Carbons for the Oxygen Reduction Reaction with Low Amounts of Cobalt
by: Yulia A. Pimonova, et al.
Published: (2019-11-01)

Effects of Structure and Particle Size of Iron, Cobalt and Ruthenium Catalysts on Fischer–Tropsch Synthesis
by: Wenping Ma, et al.
Published: (2021-03-01)

A multilevel electrolyte-gated artificial synapse based on ruthenium-doped cobalt ferrite
by: Monalisha, P., et al.
Published: (2023)

Tuning the Latency by Anionic Ligand Exchange in Ruthenium Benzylidene Phosphite Complexes
by: Nebal Alassad, et al.
Published: (2023-11-01)

Photoinduced DNA Cleavage and Photocytotoxic of Phenanthroline-Based Ligand Ruthenium Compounds
by: Xia Hu, et al.
Published: (2021-06-01)

Antioxidant Activity of Ruthenium Cyclopentadienyl Complexes Bearing Succinimidato and Phthalimidato Ligands
by: Michał Juszczak, et al.
Published: (2022-04-01)

Ruthenium-based olefin metathesis catalysts with monodentate unsymmetrical NHC ligands
by: Veronica Paradiso, et al.
Published: (2018-12-01)

The Importance of Meller’s Model Workshop Experience for Modern Design Education
by: Andriy Budnyk
Published: (2020-06-01)

Ruthenium Picolinate Complex as a Redox Photosensitizer With Wide-Band Absorption
by: Yusuke Tamaki, et al.
Published: (2019-05-01)

Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4‑Substituted Pybox and Related Heteroaromatic Ligands
by: Akifumi Kimura, et al.
Published: (2018-06-01)

Effect of phonons on the electron spin resonance absorption spectrum
by: Ariel Norambuena, et al.
Published: (2020-01-01)

Evaluating Marine Cyanobacteria as a Source for CNS Receptor Ligands
by: Andrea L. Rague, et al.
Published: (2018-10-01)