About: Analysis and Interpretation of Metal-Radical Coupling in a Series of Square Planar Nickel Complexes: Correlated Ab Initio and Density Functional Investigation of [Ni(LISQ)2] (LISQ=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-))

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About: Analysis and Interpretation of Metal-Radical Coupling in a Series of Square Planar Nickel Complexes: Correlated Ab Initio and Density Functional Investigation of [Ni(LISQ)2] (LISQ=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)) Goto Sponge NotDistinct Permalink

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Attributes	Values
rdf:type	Item
description	article (en) artículu científicu (ast) wetenschappelijk artikel (nl) наукова стаття, опублікована у вересні 2003 (uk) im September 2003 veröffentlichter wissenschaftlicher Artikel (de)
publication date	wds:Q57900111-9A0DF464-0691-4B58-93F3-EA3B8DA57F43
publication date	2003-09-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57900111-AEFA2F6D-DCDC-42FE-9399-AA78CD226FB4
language of work or name	English
cites work	wds:Q57900111-C82CD500-5CFD-4545-8176-9AC57152186F
cites work	The Effects of Exchange Interactions in the Spectra of Octahedral Manganese. II. Compounds
author name string	wds:Q57900111-5ADAA02D-E7F8-4E9B-B710-01ADF801A023
author name string	Diran Herebian
rdfs:label	Analysis and Interpretation of Metal-Radical Coupling in a Series of Square Planar Nickel Complexes: Correlated Ab Initio and Density Functional Investigation of [Ni(LISQ)2] (LISQ=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)) (en) Analysis and Interpretation of Metal-Radical Coupling in a Series of Square Planar Nickel Complexes: Correlated Ab Initio and Density Functional Investigation of [Ni(LISQ)2] (LISQ=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)) (nl)
skos:prefLabel	Analysis and Interpretation of Metal-Radical Coupling in a Series of Square Planar Nickel Complexes: Correlated Ab Initio and Density Functional Investigation of [Ni(LISQ)2] (LISQ=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)) (en) Analysis and Interpretation of Metal-Radical Coupling in a Series of Square Planar Nickel Complexes: Correlated Ab Initio and Density Functional Investigation of [Ni(LISQ)2] (LISQ=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)) (nl)
name	Analysis and Interpretation of Metal-Radical Coupling in a Series of Square Planar Nickel Complexes: Correlated Ab Initio and Density Functional Investigation of [Ni(LISQ)2] (LISQ=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)) (en) Analysis and Interpretation of Metal-Radical Coupling in a Series of Square Planar Nickel Complexes: Correlated Ab Initio and Density Functional Investigation of [Ni(LISQ)2] (LISQ=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)) (nl)
author	wds:Q57900111-431E1F18-0691-4A14-8898-E3F8E7E9AAD9 wds:Q57900111-A3B13253-32BF-4A37-AE53-9AEA79E63EA7
author	Karl Wieghardt Frank Neese
title	wds:Q57900111-855B3D52-1DE3-4DDD-BBCD-0B6EA90B1B64
title	Analysis and interpretation of metal-radical coupling in a series of square planar nickel complexes: correlated Ab initio and density functional investigation of [Ni(L(ISQ))(2)] (L(ISQ)=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-)) (en)
page(s)	wds:Q57900111-DF9388B7-5B6D-499B-B770-49B4B4EEA861
page(s)	10997-11005
instance of	wds:Q57900111-CA919E2C-221A-4DAA-8F94-8E931A07A7F4
instance of	scholarly article
main subject	wds:Q57900111-dc254532-5c2b-4c4d-bbfe-a5a52e2edb15
main subject	nickel
PubMed ID	wds:Q57900111-99272FC3-57C8-400C-83AA-BDE90CBF46E5
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/12952481
PubMed ID	12952481
published in	wds:Q57900111-A8BD6FBF-8D05-46A0-AD2C-50519A3581DC
published in	Journal of the American Chemical Society
issue	wds:Q57900111-F9BF189A-36F9-4C6D-BB4D-79E28D051C7E
volume	wds:Q57900111-D8C87D54-5B6F-4CC6-8632-C4118120586D
issue	36
volume	125
number of pages	wds:Q57900111-687A7FDA-F0C8-4967-89DD-9E26A29E5F60
number of pages	9 (xsd:decimal)
DOI	wds:Q57900111-FDE368F0-7900-4EEC-B4FB-585FBBCB8CF3
DOI	http://dx.doi.org/10.1021/JA030124M
DOI	10.1021/JA030124M
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57900111
is cites work of	Synthetic approaches to (smif)2Ti (smif = 1,3-di-(2-pyridyl)-2-azaallyl) reveal redox non-innocence and C-C bond-formation A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistry Sulfur K-edge X-ray absorption spectroscopy as a probe of ligand-metal bond covalency: metal vs ligand oxidation in copper and nickel dithiolene complexes Class III delocalization and exciton coupling in a bimetallic bis-ligand radical complex. Modulation of magnetic properties at room temperature: coordination-induced valence tautomerism in a cobalt dioxolene complex Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system. Chemistry. Radical ligands confer nobility on base-metal catalysts Mn(iv) and Mn(v)-radical species supported by the redox non-innocent bis(2-amino-3,5-di-tert-butylphenyl)amine pincer ligand (Electro)catalytic C-C bond formation reaction with a redox-active cobalt complex. Coexistence of two thermally induced intramolecular electron transfer processes in a series of metal complexes [M(Cat-N-BQ)(Cat-N-SQ)]/[M(Cat-N-BQ)2] (M = Co, Fe, and Ni) bearing non-innocent catechol-based ligands: a combined experimental and theor Detailed evaluation of the geometric and electronic structures of one-electron oxidized group 10 (Ni, Pd, and Pt) metal(II)-(disalicylidene)diamine complexes Shearing-Like Distortion in Binuclear End-to-End CuII Azido Compounds: An Ab Initio Study of the Magnetic Interactions Origin of the enhancement of the second hyperpolarizability of singlet diradical systems with intermediate diradical character. Molecular and electronic structure of four- and five-coordinate cobalt complexes containing two o-phenylenediamine- or two o-aminophenol-type ligands at various oxidation levels: an experimental, density functional, and correlated ab initio study Double oxidation localizes spin in a Ni bis-phenoxyl radical complex Correlated coordination and redox activity of a hemilabile noninnocent ligand in nickel complexes. Methanol-Triggered Vapochromism Coupled with Solid-State Spin Switching in a Nickel(II)-Quinonoid Complex. Microscopic origins of the ferromagnetic exchange coupling in oxoverdazyl-based Cu(II) complex A novel pentadentate redox-active ligand and its iron(III) complexes: electronic structures and O₂ reactivity. Homoleptic diphosphacyclobutadiene complexes [M(η(4)-P2C2R2)2]x- (M = Fe, Co; x = 0, 1). Carbon Nanotube Formic Acid Sensors Using a Nickel Bis(ortho-diiminosemiquinonate) Selector. Non-Innocent Ligands: New Opportunities in Iron Catalysis Do Diradicals Behave Like Radicals? Metal-Metal Interactions in Heterobimetallic Complexes with Dinucleating Redox-Active Ligands Localized Mixed-Valence and Redox Activity within a Triazole-Bridged Dinucleating Ligand upon Coordination to Palladium Molecular and Electronic Structures of Homoleptic Nickel and Cobalt Complexes with Non-Innocent Bulky Diimine Ligands Derived from Fluorinated 1,4-Diaza-1,3-butadiene (DAD) and Bis(arylimino)acenaphthene (BIAN) Diradical character from the local spin analysis. Ferrocene/fullerene hybrids showing large second-order nonlinear optical activities: impact of the cage unit size. Metalloradical complexes of manganese and chromium featuring an oxidatively rearranged ligand Zinc(II), iron(II/III) and ruthenium(II) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence Two-electron/24-center (2e/24c) bonding in novel diradical π-dimers. Oxidative Ligand Rearrangement Due to Incipient Aminyl Radicals in the Oxidation of Iron(II) Species with Dioxygen Evaluation of modern DFT functionals and G3n-RAD composite methods in the modelization of organic singlet diradicals Mixed-Valence o-Iminobenzoquinone and o-Iminobenzosemiquinonate Anion Radical Complexes of Cobalt: Valence Tautomerism Carbene derived diradicaloids - building blocks for singlet fission? Diradicalology in third-order nonlinear optical systems: Second hyperpolarizabilities of acetylene-linked phenalenyl-based superpolyenes Synthesis, characterization and catalytic activity of copper(II) complexes containing a redox-active benzoxazole iminosemiquinone ligand. Kekulé diradicaloids derived from a classical N-heterocyclic carbene. Boron-Substituted Coronene: Intriguing Geometric and Electronic Properties, and Large Nonlinear Optical Response HOMO-LUMO energy gap control in platinum(II) biphenyl complexes containing 2,2'-bipyridine ligands. Electron Transport in a Dioxygenase-Ferredoxin Complex: Long Range Charge Coupling between the Rieske and Non-Heme Iron Center Oxidovanadium Complexes of 2,2′-Bipyridine, 1,10 Phenanthroline, andp-Nitro-o-aminophenol - Radical versus Nonradical States The interplay of Hückel and Möbius aromaticity in metal-metal quintuple bonded complexes of Cr, Mo, and W with amidinate ligand. Ab initio DFT and multireference analysis Noninnocent β-Diiminate Ligands: Redox Activity of a Bis(alkylimidazole)methane Ligand in Cobalt and Zinc Complexes. 1-Titanacyclobuta-2,3-diene - an elusive four-membered cyclic allene
is cites work of	wds:Q46860372-556FB0A0-EEC9-4A46-A45E-1523B4F526BF wds:Q46416548-9FAB3833-0317-45B1-9476-5C4FF3F993EE wds:Q43733022-21F778CF-B43C-41EA-A4CD-9FC450D76AA0 wds:Q46914874-33EEB97A-6041-4051-BF6D-A7A34A8189EA wds:Q52878530-9C006C6E-296A-40CB-8512-4021BA0AE261 wds:Q42787649-AB3DC0E2-C268-4E69-B186-B07A66BD74ED wds:Q58117874-0190A783-B9DE-4D57-8B9E-A0E9C16718C4 wds:Q46501007-46C6A716-1A7E-4858-9FCE-F9679C61B437

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