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Nickel carbonyl [Ni(CO)4] and iron carbonyl [Fe(CO)5]: molecular structures in the solid state

https://doi.org/10.1021/om00028a082
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[Ni{InC(SiMe3)3}4] – eine zu [Ni(CO)4] analoge metallorganische Nickel-Indium-Verbindung
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Pentacarbonyliron
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Iron Compounds
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Pseudopotential Calculations of Transition Metal Compounds: Scope and Limitations
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[Co(CO)5][(CF3)3BF]: ein stabiles Salz eines homoleptischen trigonal‐bipyramidalen Metallcarbonyl‐Kations
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Ag[Fe(CO)5]2+: A Bare Silver Complex with Fe(CO)5 as a Ligand
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Ein Ferrocen‐basierter dikationischer FeIV‐Carbonylkomplex
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[Co(CO)5][(CF3)3BF]: A Stable Salt of a Homoleptic Trigonal‐Bipyramidal Metal–Carbonyl Cation
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Ag[Fe(CO)5]2+: A Bare Silver Complex with Fe(CO)5 as a Ligand
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A Ferrocene‐Based Dicationic Iron(IV) Carbonyl Complex
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Salts of the Cobalt( I ) Complexes [Co(CO)5]+ and [Co(CO)2(NO)2]+ and the Lewis Acid–Base Adduct [Co2(CO)7COB(CF3)3]
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ChemInform Abstract: Ni(CO)4 and Fe(CO)5: Molecular Structures in the Solid State
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Electronic Structures and Energies of Fe2(CO)n (n=0–9)
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One‐ and Two‐Photon‐Induced Photochemistry of Iron Pentacarbonyl [Fe(CO)5]: Insights from Coupled Cluster Response Theory
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Density functional investigation and bonding analysis of pentacoordinated iron complexes with mixed cyano and carbonyl ligands
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A quantum chemical calculation on Fe(CO)5 revealing the operation of the Dewar–Chatt–Duncanson model
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Reactions of Distibanes with [Fe2(CO)9]: Synthesis, Structure and DFT Calculations of [(Et2Sb)4Fe4(CO)14], [(nPr2Sb)4Fe3(CO)10], [{(Me3SiCH2)2Sb}4Fe2(CO)6], and [2‐(Me2NCH2)C6H4SbFe2(CO)8]
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Ni[CO]4
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Synthesis, Structure and Reactivity of Group 13/15 Compounds Containing the Heavier Elements of Group 15, Sb and Bi
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The Jahn–Teller Effect in Binary Transition Metal Carbonyl Complexes
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Eisengruppe: Elemente der achten Nebengruppe
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Eisengruppe: Elemente der achten Nebengruppe
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Eisengruppe: Elemente der achten Nebengruppe
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Eisengruppe: Elemente der achten Nebengruppe
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Iron Group: Elements of the Eighth Subgroup
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Quantum Mechanical AB Initio Investigation of Metal-Ligand Interactions in Transition-Metal Carbonyl Complexes
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DFT tests for group 8 transition metal carbonyl complexes
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Structural Studies of Two Isoelectronic Tetrakis Isocyano Complexes
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The estimation of CO bond length changes in the excited states of transition metal carbonyls
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The structures of two [Fe(η4-C7H8)(CO)2(L)] complexes (C7H8 = norbornadiene; L = CNMe or PPh3)
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Nickel
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Stable Silylenes and Their Transition Metal Complexes
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Iron Compounds without Hydrocarbon Ligands
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The application of synchrotron radiation and in particular X-ray absorption spectroscopy to matrix isolated species
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Structure of solvated Fe(CO)5: XANES and EXAFS measurements using ultrafast laser plasma and conventional X-ray sources
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Synthesis of cluster-derived PtFe/SiO2 catalysts for the oxidation of CO
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Ligand properties of N-heterocyclic and Bertrand carbenes: A density functional study
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μ-η2:2-s-trans-Butadieneoctacarbonyldiiron(0) – Structural and spectroscopic properties
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Vinylidene carbonylation at a manganese–iron complex: A density functional study of mechanism
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Density functional theory study of Fe(CO)5 and [Fe(CO)6]2+ complexes catalyzed the water gas shift reaction extended to the aqueous phase
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Isocyanide versus nitrile ligands and methyl versus trifluoromethyl substituents in metal carbonyl chemistry
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Enlightening organometallic chemistry: the photochemistry of Fe(CO)5 and the reaction chemistry of unsaturated iron carbonyl fragments
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Ligand connected metal clusters. The molecular structures and solid state packing of {Ru3(CO)11}2(bis(diphenylphosphino)ethane) and {Ru3(CO)11}2(1,4-bis(diphenylphosphino)benzene)
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Group 13/15 Organometallic Compounds—Synthesis, Structure, Reactivity and Potential Applications
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The spectroscopic characterisation of cis-Fe(CO)4IBr and cis-Fe(CO)4ICl and an investigation of their halogen exchange reactions in solution and the vapour
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Tantalocenehydridephosphorus chemistry.
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Issues involved in using MCSCF to investigate catalytic sites involving transition metals
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Electronic Structure of the Hieber Anion [Fe(CO)3(NO)]− Revisited by X-ray Emission and Absorption Spectroscopy
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Spin-Adapted Formulation and Implementation of Density Cumulant Functional Theory with Density-Fitting Approximation: Application to Transition Metal Compounds
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Describing Polytopal Rearrangements of Fluxional Molecules with Curvilinear Coordinates Derived from Normal Vibrational Modes: A Conceptual Extension of Cremer–Pople Puckering Coordinates
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A Redox Transmetalation Step in Nickel-Catalyzed C–C Coupling Reactions
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Theoretical Analysis of Fe K-Edge XANES on Iron Pentacarbonyl
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The transition metal-carbonyl bond
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Evaluation of Functionals O3LYP, KMLYP, and MPW1K in Comparison to B3LYP for Selected Transition-Metal Compounds
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Investigating the Effects of Basis Set on Metal–Metal and Metal–Ligand Bond Distances in Stable Transition Metal Carbonyls: Performance of Correlation Consistent Basis Sets with 35 Density Functionals
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Iron Pentacarbonyl: Are the Axial or the Equatorial Iron−Carbon Bonds Longer in the Gaseous Molecule?
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Quantum Chemical Investigations and Bonding Analysis of Iron Complexes with Mixed Cyano and Carbonyl Ligands
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Facile Syntheses of Silylene Nickel Carbonyl Complexes from Lewis Base Stabilized Chlorosilylenes
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New Approach to Tolman’s Electronic Parameter Based on Local Vibrational Modes
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Is CO a Special Ligand in Organometallic Chemistry? Theoretical Investigation of AB, Fe(CO)4AB, and Fe(AB)5 (AB = N2, CO, BF, SiO)
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Photodissociation of the Phosphine-Substituted Transition Metal Carbonyl Complexes Cr(CO)5L and Fe(CO)4L: A Theoretical Study
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Transition Metal−Carbon Complexes. A Theoretical Study
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Stereomutation of Pentavalent Compounds: Validating the Berry Pseudorotation, Redressing Ugi’s Turnstile Rotation, and Revealing the Two- and Three-Arm Turnstiles
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Why Do Cationic Carbon Monoxide Complexes Have High C−O Stretching Force Constants and Short C−O Bonds? Electrostatic Effects, Not σ-Bonding
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Alkyne Ligand Enhancement of the Substitution Lability of Mononuclear Osmium, Ruthenium, and Iron Carbonyls
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Solid-State Nuclear Magnetic Resonance Spectroscopic and Quantum Chemical Investigation of 13C and 17O Chemical Shift Tensors, 17O Nuclear Quadrupole Coupling Tensors, and Bonding in Transition-Metal Carbonyl Complexes and Clusters
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The First Carbonyl Bond Dissociation Energies of M(CO)5and M(CO)4(C2H2) (M = Fe, Ru, and Os): The Role of the Acetylene Ligand from a Density Functional Perspective
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Structure and Spectroscopy of Iron Pentacarbonyl, Fe(CO)5
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Heterobimetallic Silver–Iron Complexes Involving Fe(CO)5Ligands
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Metal–CO Bonding in Mononuclear Transition Metal Carbonyl Complexes
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Bond Energies and Bonding Interactions in Fe(CO)5-n(N2)n (n = 0−5) and Cr(CO)6-n(N2)n (n = 0−6) Complexes: Density Functional Theory Calculations and Comparisons to Experimental Data
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Structure and Energetics of Iron Pentacarbonyl Formation at an Fe(100) Surface
inferred← citeshttps://doi.org/10.1021/jp0272522openalex-snapshot
Structure of Solvated Fe(CO)5: FTIR Measurements and Density Functional Theory Calculations
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Structure of Solvated Fe(CO)5: A Concerted XAFS, FTIR, and DFT Study of Solvation in Fluorinated Arenes
inferred← citeshttps://doi.org/10.1021/jp053107nopenalex-snapshot
Experimental X-ray Charge Density Studies on the Binary Carbonyls Cr(CO)6, Fe(CO)5, and Ni(CO)4
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Structure of Solvated Fe(CO) 5 : Complex Formation during Solvation in Alcohols
inferred← citeshttps://doi.org/10.1021/jp204776aopenalex-snapshot
Theoretical Investigation of Water Gas Shift Reaction Catalyzed by Iron Group Carbonyl Complexes M(CO)5(M = Fe, Ru, Os)
inferred← citeshttps://doi.org/10.1021/jp2068733openalex-snapshot
New Model for a Pd-Doped SnO2-Based CO Gas Sensor and Catalyst Studied by Online in-Situ X-ray Photoelectron Spectroscopy
inferred← citeshttps://doi.org/10.1021/jp964090zopenalex-snapshot
A Theoretical Study of the Reaction H2 + Fe(CO)4 ⇌ H2Fe(CO)4
inferred← citeshttps://doi.org/10.1021/jp981356oopenalex-snapshot
Molecular Structures and Vibrational Frequencies of Iron Carbonyls: Fe(CO)5, Fe2(CO)9, and Fe3(CO)12
inferred← citeshttps://doi.org/10.1021/la050593xopenalex-snapshot
Fe(CO)5 Thin Films Adsorbed on Au(111) and on Self-Assembled Organic Monolayers: I. Structure
inferred← citeshttps://doi.org/10.1021/om000144mopenalex-snapshot
Carbonylative Cycloaddition of Allyl Halides and Acetylenes Promoted by Ni(CO)4. A DFT Study on the Reaction Mechanism
inferred← citeshttps://doi.org/10.1021/om000250oopenalex-snapshot
Is It Possible to Synthesize a Low-Valent Transition Metal Complex with a Neutral Carbon Atom as Terminal Ligand? A Theoretical Study of (CO)4FeC
inferred← citeshttps://doi.org/10.1021/om010032aopenalex-snapshot
Synthesis and X-ray Crystal Structures of Pnictogen-Bridged, Bimetallic Complexes Containing Main Group Metal and Tricarbonylnickel Fragments
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Metal Carbonyl Anions: from [Fe(CO)4]2-to [Hf(CO)6]2-and Beyond
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Density Functional Study of N-Heterocyclic and Diamino Carbene Complexes: Comparison with Phosphines
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Comprehensive Study of the Thermochemistry of First-Row Transition Metal Compounds by Spin Component Scaled MP2 and MP3 Methods
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An Anionic Zerovalent Nickel Carbonyl Complex Supported by a Triphosphine Borate Ligand: An Ni−C⋮O−Li Isocarbonyl
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Database Analysis of Transition Metal Carbonyl Bond Lengths: Insight into the Periodicity of π Back-Bonding, σ Donation, and the Factors Affecting the Electronic Structure of the TM−C⋮O Moiety
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Homoleptic Complexes of Bisstannylenes with Nickel(0): Synthesis, X-Ray Diffraction Studies, and 119Sn NMR Investigations
inferred← citeshttps://doi.org/10.1021/om8001125openalex-snapshot
Synthetic, Structural, and Thermochemical Studies of N-Heterocyclic Carbene (NHC) and Tertiary Phosphine Ligands in the [(L)2Ni(CO)2] (L = PR3, NHC) System
inferred← citeshttps://doi.org/10.1021/om800578copenalex-snapshot
Quantifying the Donor−Acceptor Properties of Carbon Monoxide and ItsCarbo-mer Using ELF Analysis
inferred← citeshttps://doi.org/10.1021/om950697aopenalex-snapshot
Structure and Bonding of the Transition-Metal Carbonyl Complexes M(CO)5L (M = Cr, Mo, W) and M(CO)3L (M = Ni, Pd, Pt; L = CO, SiO, CS, N2, NO+, CN-, NC-, HCCH, CCH2, CH2, CF2, H2)1
inferred← citeshttps://doi.org/10.1021/om960303vopenalex-snapshot
Electronic Structure of Os(CO)4L (L = CO, PMe3) Studied by Variable-Energy Photoelectron Spectroscopy
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Metal Complexes of Chiral Imidazolin-2-ylidene Ligands
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Pentamethylcyclopentadienylgallium (Cp*Ga): Alternative Synthesis and Application as a Terminal and Bridging Ligand in the Chemistry of Chromium, Iron, Cobalt, and Nickel
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Theoretical Study of Gas-Phase Reactions of Fe(CO)5 with OH- and Their Relevance for the Water Gas Shift Reaction
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Synthesis and Structure of [Ni{Ga−C(SiMe3)3}4] and Quantum-Chemical Verification of Strong π Back-Bonding in the Model Compounds [Ni(EMe)4] (E = B, Al, Ga, In, Tl)
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Continuous symmetry measures of penta-coordinate molecules: Berry and non-Berry distortions of the trigonal bipyramid †
inferred← citeshttps://doi.org/10.1039/b212162jopenalex-snapshot
The nature of the chemical bonding in the D3h and C2v isomers of Fe3(CO)12
inferred← citeshttps://doi.org/10.1039/b504134aopenalex-snapshot
Ni(N2)4 revisited: an analysis of the Ni–N2 bonding properties of this benchmark system on the basis of UV/Vis, IR and Raman spectroscopy
inferred← citeshttps://doi.org/10.1039/c0cp01856bopenalex-snapshot
Picosecond X-ray absorption measurements of the ligand substitution dynamics of Fe(CO)5 in ethanol
inferred← citeshttps://doi.org/10.1039/c2dt31253kopenalex-snapshot
[XIm][FeI(CO)3(SnI3)2] (XIm: EMIm, EHIm, PMIm) containing a barbell-shaped FeSn2-carbonyl complex
inferred← citeshttps://doi.org/10.1039/c4cc05770hopenalex-snapshot
Carbon monoxide in controlling the surface formation of Group VIII metal nanoparticles
inferred← citeshttps://doi.org/10.1039/c4cs00073kopenalex-snapshot
New bonding modes of carbon and heavier group 14 atoms Si–Pb
inferred← citeshttps://doi.org/10.1039/c7dt00178aopenalex-snapshot
Generalization of the Tolman electronic parameter: the metal–ligand electronic parameter and the intrinsic strength of the metal–ligand bond
inferred← citeshttps://doi.org/10.1039/d0cp00115eopenalex-snapshot
NMR absolute shielding scales and nuclear magnetic dipole moments of transition metal nuclei
inferred← citeshttps://doi.org/10.1039/dt9960002077openalex-snapshot
Prediction of crystal structures
inferred← citeshttps://doi.org/10.1039/ic9939000179openalex-snapshot
Chapter 14. Fe, Co, and Ni
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Emphasizing the exchange-correlation potential in functional development
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Comparison of ab initio and density functional calculations of electric field gradients: The Fe57 nuclear quadrupole moment from Mössbauer data
inferred← citeshttps://doi.org/10.1063/1.1412605openalex-snapshot
Hybrid exchange-correlation functional determined from thermochemical data and ab initio potentials
inferred← citeshttps://doi.org/10.1063/1.2180249openalex-snapshot
Infrared diode laser spectroscopy of jet-cooled NiCO, Ni(CO)3(C13O), and Ni(CO)3(CO18)
inferred← citeshttps://doi.org/10.1063/1.468839openalex-snapshot
Theoretical study of the vibrational spectra of the transition metal carbonyls M(CO)6 [M=Cr, Mo, W], M(CO)5 [M=Fe, Ru, Os], and M(CO)4 [M=Ni, Pd, Pt]
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A relativistic Kohn–Sham density functional procedure by means of direct perturbation theory. II. Application to the molecular structure and bond dissociation energies of transition metal carbonyls and related complexes
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Density functional study of the Fe–CO bond dissociation energies of Fe(CO)5
inferred← citeshttps://doi.org/10.1080/01411594.2017.1390750openalex-snapshot
Structures, electronic properties and reaction paths from Fe(CO)5 molecule to small Fe clusters
inferred← citeshttps://doi.org/10.1080/10241220701635411openalex-snapshot
Chemistry of metal – boron double bonds
inferred← citeshttps://doi.org/10.1103/physrevb.57.14690openalex-snapshot
Electric-field-gradient calculations using the projector augmented wave method
inferred← citeshttps://doi.org/10.1103/physrevb.73.144103openalex-snapshot
X-ray absorption fine structure (XAFS) analyses of Ni species trapped in graphene sheet of carbon nanofibers
inferred← citeshttps://doi.org/10.1103/physrevb.73.235125openalex-snapshot
Convergence properties of the Harris density functional and the self-consistent atom fragment approximation
inferred← citeshttps://doi.org/10.1107/s1600536808020138openalex-snapshot
Tris( tert -butyl isocyanide-κ C )carbonylnickel(0)
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Electron-induced ionization and dissociative ionization of iron pentacarbonyl molecules
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Structure and Bonding of Trace Ni Catalyst in Carbon Nanotube Studied by Ni K-Edge XANES
inferred← citeshttps://doi.org/10.3390/chemistry4030072openalex-snapshot
Dissociative Electron Attachment Cross Sections for Ni(CO)4, Co(CO)3NO, Cr(CO)6
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Iron and Manganese Oxidation States, Bonding Environments, and Mobility in the Mining-Impacted Sediments of Coeur d’Alene Lake, Idaho: Core Experiments
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Chemical vapor deposition of Al, Fe and of the Al13Fe4 approximant intermetallic phase : experiments and multiscale simulations
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