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How Important Is Backbonding in Metal Complexes Containing N‐Heterocyclic Carbenes? Structural and NBO Analysis
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Outgoing claims: the papers this work cites, builds on, or argues with.
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inferred← citeshttps://doi.org/10.1021/acs.organomet.6b00279openalex-snapshot
A DFT Study on the Binuclear CuAAC Reaction: Mechanism in Light of New Experiments
inferred← citeshttps://doi.org/10.1021/acs.organomet.6b00375openalex-snapshot
A Well-Defined Isocyano Analogue of HCo(CO)4. 2: Relative Brønsted Acidity as a Function of Isocyanide Ligation
inferred← citeshttps://doi.org/10.1021/acs.organomet.7b00365openalex-snapshot
Intuitive Quantifiers of Charge Flows in Coordinate Bonding
inferred← citeshttps://doi.org/10.1021/acscatal.3c01943openalex-snapshot
We Already Know Everything about Oxidative Addition to Pd(0): Do We?
inferred← citeshttps://doi.org/10.1021/acsomega.5c10321openalex-snapshot
Isomeric Imidazopyridine-Based NHC Ligands: Enhanced Catalytic Activity of an Electron-Donating Remote NHC in a PEPPSI-Type Palladium Complex
inferred← citeshttps://doi.org/10.1021/acsomega.8b00437openalex-snapshot
Distinct Palladium(II) Carbene Complexes Supported by Six-Membered 1,3-Disubstituted Permidin-2-ylidene, Six-Membered N-Heterocyclic Carbenes
inferred← citeshttps://doi.org/10.1021/acsomega.8b03330openalex-snapshot
Interplay between Gold(I)-Ligand Bond Components and Hydrogen Bonding: A Combined Experimental/Computational Study
inferred← citeshttps://doi.org/10.1021/cr500227yopenalex-snapshot
Group 1 and 2 and Early Transition Metal Complexes Bearing N-Heterocyclic Carbene Ligands: Coordination Chemistry, Reactivity, and Applications
inferred← citeshttps://doi.org/10.1021/ic2024605openalex-snapshot
Computational Insight into a Gold(I) N-Heterocyclic Carbene Mediated Alkyne Hydroamination Reaction
inferred← citeshttps://doi.org/10.1021/ic400010dopenalex-snapshot
Carbene Generation by Cytochromes and Electronic Structure of Heme-Iron-Porphyrin-Carbene Complex: A Quantum Chemical Study
inferred← citeshttps://doi.org/10.1021/ic401817gopenalex-snapshot
Relationship between Gallium Pyramidalization in L·GaCl3 Complexes and the Electronic Ligand Properties
inferred← citeshttps://doi.org/10.1021/ja309873zopenalex-snapshot
Mechanism and Origins of Ligand-Controlled Selectivities in [Ni(NHC)]-Catalyzed Intramolecular (5 + 2) Cycloadditions and Homo-Ene Reactions: A Theoretical Study
inferred← citeshttps://doi.org/10.1021/jacs.0c11981openalex-snapshot
Encapsulating N-Heterocyclic Carbene Binuclear Transition-Metal Complexes as a New Platform for Molecular Rotation in Crystalline Solid-State
inferred← citeshttps://doi.org/10.1021/jacs.3c06331openalex-snapshot
N-Heterocyclic Carbenes with Polyfluorinated Groups at the 4- and 5-Positions from [3 + 2] Cycloadditions between Formamidinates and cis-1,2-Difluoroalkene Derivatives
inferred← citeshttps://doi.org/10.1021/jacs.6b08372openalex-snapshot
A General Decomposition Pathway for Phosphine-Stabilized Metathesis Catalysts: Lewis Donors Accelerate Methylidene Abstraction
inferred← citeshttps://doi.org/10.1021/jacs.9b03657openalex-snapshot
“Quick-Silver” from a Systematic Study of Highly Luminescent, Two-Coordinate, d 10 Coinage Metal Complexes
inferred← citeshttps://doi.org/10.1021/jo302080copenalex-snapshot
Electronic Structural Trends in Divalent Carbon Compounds
inferred← citeshttps://doi.org/10.1021/ol4024584openalex-snapshot
A Selective Approach to Pyridine Appended 1,2,3-Triazolium Salts
inferred← citeshttps://doi.org/10.1021/om300814fopenalex-snapshot
N-Heterocyclic Carbenes with aN-2,4-Dinitrophenyl Substituent: Comparison with PPh3and IPr
inferred← citeshttps://doi.org/10.1021/om5003667openalex-snapshot
The Chemical Bond in Gold(I) Complexes with N-Heterocyclic Carbenes
inferred← citeshttps://doi.org/10.1038/ncomms14874openalex-snapshot
Remarkable catalytic activity of dinitrogen-bridged dimolybdenum complexes bearing NHC-based PCP-pincer ligands toward nitrogen fixation
inferred← citeshttps://doi.org/10.1039/c3cs60146copenalex-snapshot
Quantifying and understanding the electronic properties of N-heterocyclic carbenes
inferred← citeshttps://doi.org/10.1039/c3cs60386eopenalex-snapshot
Beyond click chemistry – supramolecular interactions of 1,2,3-triazoles
inferred← citeshttps://doi.org/10.1039/c4sc02791dopenalex-snapshot
A combined magnetic circular dichroism and density functional theory approach for the elucidation of electronic structure and bonding in three- and four-coordinate iron( ii )–N-heterocyclic carbene complexes
inferred← citeshttps://doi.org/10.1039/c5cp00482aopenalex-snapshot
The study of the electronic structure of some N-heterocyclic carbenes (NHCs) by variable energy photoelectron spectroscopy
inferred← citeshttps://doi.org/10.1039/c5dt00182jopenalex-snapshot
Pyridine versus acetonitrile coordination in rhodium–N-heterocyclic carbene square-planar complexes
inferred← citeshttps://doi.org/10.1039/c5ra16500hopenalex-snapshot
The nature of Pd–carbene and Pd–halogen bonds in (bisNHC)PdX 2 type catalysts: insights from density functional theory
inferred← citeshttps://doi.org/10.1039/c5sc02592copenalex-snapshot
The divergent effects of strong NHC donation in catalysis
inferred← citeshttps://doi.org/10.1039/c6dt00275gopenalex-snapshot
Coinage metal complexes with bridging hybrid phosphine–NHC ligands: synthesis of di- and tetra-nuclear complexes
inferred← citeshttps://doi.org/10.1039/c6ob02827fopenalex-snapshot
Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes
inferred← citeshttps://doi.org/10.1039/c6qm00264aopenalex-snapshot
Heteroleptic Ru( ii ) cyclometalated complexes derived from benzimidazole-phenyl carbene ligands for dye-sensitized solar cells: an experimental and theoretical approach
inferred← citeshttps://doi.org/10.1039/c7dt02170dopenalex-snapshot
The ligand effect on the oxidative addition of dioxygen to gold( i )–hydride complexes
inferred← citeshttps://doi.org/10.1039/c7qo00586eopenalex-snapshot
Comparative investigation of the reactivities between catalysts [Cp*RhCl 2 ] 2 and [Cp*IrCl 2 ] 2 in the oxidative annulation of isoquinolones with alkynes: a combined experimental and computational study
inferred← citeshttps://doi.org/10.1039/c9dt00841aopenalex-snapshot
Regression analysis of properties of [Au(IPr)(CHR 2 )] complexes
inferred← citeshttps://doi.org/10.1039/d1cc00913copenalex-snapshot
N-Heterocyclic carbene complexes enabling the α-arylation of carbonyl compounds
inferred← citeshttps://doi.org/10.1039/d3qm00285copenalex-snapshot
Transition-metal acyclic carbene complexes: building blocks for luminescent, stimuli-responsive, bioactive materials and catalysts
inferred← citeshttps://doi.org/10.1039/d4dt03305aopenalex-snapshot
Deconvoluting capping ligand influence on photophysical properties in tetrathiafulvalene-based diradicaloids
inferred← citeshttps://doi.org/10.1039/d4nr00143eopenalex-snapshot
Insight into the nature of carbon–metal bonding for N -heterocyclic carbenes in gold/silver complexes and nanoparticles using DFT-correlated Raman spectroscopy: strong evidence for π-backbonding
inferred← citeshttps://doi.org/10.1039/d5dt00868aopenalex-snapshot
In( iii ) complexes of sulfonyldithiocarbimates as selective antineoplasic agents against human colorectal adenocarcinoma
inferred← citeshttps://doi.org/10.1080/00268976.2019.1662507openalex-snapshot
Assessment of the nature of interactions of cations with cycloheptatriene derivatives using change in the aromaticity: Comparison with electron density and NBO results
inferred← citeshttps://doi.org/10.1080/00268976.2026.2674779openalex-snapshot
Substituent-driven tuning of electronic structure and donor–acceptor interactions in Ru(II) piano-stool complexes: insights from DFT calculations
inferred← citeshttps://doi.org/10.1107/s2053229619007745openalex-snapshot
Enhanced π-back-donation resulting in thetranslabilization of a pyridine ligand in an N-heterocyclic carbene (NHC) PdIIprecatalyst: a case study
inferred← citeshttps://doi.org/10.1126/science.1229506openalex-snapshot
Direct Evidence of a Dinuclear Copper Intermediate in Cu(I)-Catalyzed Azide-Alkyne Cycloadditions
inferred← citeshttps://doi.org/10.1246/cl.140651openalex-snapshot
Two-coordinate Dialkylsilylene–Coinage Metal Complexes
inferred← citeshttps://doi.org/10.12794/metadc1538722openalex-snapshot
Ligand Effects in Gold(I) Acyclic Diaminocarbene Complexes and Their Influence on Regio- and Enantioselectivity of Homogeneous Gold(I) Catalysis
inferred← citeshttps://doi.org/10.33448/rsd-v9i12.10499openalex-snapshot
Propriedades químico-quânticas utilizando o método TFD: uma ferramenta teórica aplicada no estudo de inibidores de corrosão
inferred← citeshttps://doi.org/10.3390/catal10080887openalex-snapshot
Decomposition of Ruthenium Olefin Metathesis Catalyst
inferred← citeshttps://doi.org/10.3762/bjoc.11.294openalex-snapshot
Direct estimate of the internal π-donation to the carbene centre within N-heterocyclic carbenes and related molecules
inferred← citeshttps://doi.org/10.70675/60b658c8z0dc7z493dz899cz67390b8f0cd7openalex-snapshot
Evaluation of The Electronic Properties of Carbon(0)-Based Compounds Through Gold Catalysis and X-Ray Structure Analysis
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