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Structural, bonding and redox properties of 34-electron bimetallic complexes and their oxidized 32- and 33-electron and reduced 35- and 36-electron derivatives containing the indenyl fused π-system: A DFT overview
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Kohn‐Sham Density Functional Theory: Predicting and Understanding Chemistry
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Mixed Valence Complexes of d 5 ‐ d 6 Metal Centers
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Slipped μ‐Indenyl Triple‐Decker Complexes Containing (C4Me4)Co and (C5R5)Ru Fragments
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Electronic structure and structural diversity in indenyl in heterobinuclear transition-metal half-sandwich complexes
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Structural diversity of homobinuclear transition metal complexes of the phenazine ligand: theoretical investigation
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Mixed-valence molecules: Electronic delocalization and stabilization
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Numerical integration for polyatomic systems
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Direct, indirect and assisted electrooxidation of benzenetricarbonylchromium derivatives. A comparative study in acetonitrile and in N,N-dimethylformamide
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Synthesis of slipped triple- and tetra-decker cationic ruthenium complexes with the μ, η5 : η6-indenyl ligand. X-Ray structure of [(η-C5H5)Ru(μ, η5 : η6-C9H7-Ru(η-C5Me5)]PF6
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Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane
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Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure
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On different chemical and catalytic behavior of (η-indenyl)—Rh(η4-COD) and Cr(CO)3(μ-η:η-indenyl)Rh(η4-COD) complexes
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Electronic communication in heterobinuclear organometallic complexes through unsaturated hydrocarbon bridges
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The organometallic chemistry of pentalene
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The coordination of azepine to transition-metal complexes: A DFT analysis
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Theoretical investigation of the coordination of dibenzazepine to transition-metal complexes: A DFT study
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Bonding analysis and electronic structure of transition metal–benzoquinoline complexes: A theoretical study
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Molecular properties and electronic structure of phenazine ligand in binuclear molybdenum and manganese metal complexes: A density functional theory study
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Molecular architecture in the field of photonic devices
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Organometallic electron reservoir sandwich iron complexes as potential agents for redox and electron transfer chain catalysis
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The chemistry of metal cluster complexes.
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Intervalence Charge Transfer and Electron Exchange Studies of Dinuclear Ruthenium Complexes
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The Role of Bridging Ligands in Controlling Electronic and Magnetic Properties in Polynuclear Complexes
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Metal−Metal Interactions in Linked Metallocenes
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Application of density functional theory to infrared absorption intensity calculations on transition-metal carbonyls
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Structural and Physical Properties of Delocalized Mixed-Valent [Cp*M(pentalene)M'Cp*]n+ and [Cp*M(indacene)M'Cp*]n+ (M, M' = Fe, Co, Ni; n = 0, 1, 2) Complexes
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Bis[(pentamethylcyclopentadienyl)metal]pentalenes. A new class of highly delocalized, fused metallocenes
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Orientational Control of Electronic Coupling in Mixed-Valence, Binuclear Ruthenium(II)−Bis(2,2‘:6‘,2‘ ‘-Terpyridine) Complexes
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On the way to delocalized organometallic polymers: triple- and quadruple-decker pentalene complexes of iron and cobalt
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Heterobimetallic indenyl complexes. Synthesis and structure of cis-[Cr(CO)3(indenyl)RhL2 (L2 = norbornadiene, (CO)2)
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(.eta.6-Naphthalene)(.eta.4-1,5-cyclooctadiene)ruthenium(0): efficient synthesis, chemistry, and catalytic properties
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A New Heterobimetallic Ru,Rh Complex with a Dianionic Pentalene as Bridging Ligand. Synthesis, Crystal Structure, and Catalytic Activity of [Cp*Ru(μ-η5,η3-C8H6)Rh(η4-COD)]
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Transition-metal organometallic compounds. 8. Arene exchange reactions of bis(naphthalene)chromium
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Heterobimetallic (Ferrocenyl)indenyl Rhodium Complexes. Synthesis, Crystal Structure, and Oxidative Activation of [η5-(1-Ferrocenyl)indenyl]RhL2 [L2 = COD, NBD, (CO)2]
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Organometallic Mixed-Valence Systems. Electronic Coupling through an Alkyndiyl Bridge Incorporating Methylene Groups
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The Coordination Chemistry of Azulene: A Comprehensive DFT Investigation
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Control of Ligand Substitution and Addition Reactions of (Arene)Cr(CO)3 Complexes by Attachment of a Self-Closing Redox Switch
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Metal-metal interactions in binuclear complexes exhibiting mixed valency; molecular wires and switches
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Oligocyclopentadienyl Transition Metal Complexes
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Assertion and validation of the performance of the B3LYP⋆ functional for the first transition metal row and the G2 test set
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Density functional calculations of molecular bond energies
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The determination of molecular structures by density functional theory. The evaluation of analytical energy gradients by numerical integration
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Application of density functional theory to infrared absorption intensity calculations on main group molecules
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Left-right correlation energy
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Density-functional exchange-energy approximation with correct asymptotic behavior
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Density-functional approximation for the correlation energy of the inhomogeneous electron gas
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Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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Generalized Gradient Approximation Made Simple
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Electronic structure and bonding analysis of transition metal sandwich and half-sandwich complexes of the triphenylene ligand
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