Theoretical Studies on Relative Stability of Cationic 1,10-Phenanthroline Palladium Complexes Bearing Alkyl Groups by Using Designed Alkane Templates
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- 資料種別
- 記事
- 出版年月日等
- 2024-07-10
- 出版年（W3CDTF）
- 2024-07-10
- タイトル（掲載誌）
- Organometallics
- 巻号年月日等（掲載誌）
- 43 14
- 掲載巻
- 43
- 掲載号
- 14
- 掲載ページ
- 1528-1535
- 掲載年月日（W3CDTF）
- 2024-07-10
- ISSN（掲載誌）
- 02767333
- 出版事項（掲載誌）
- American Chemical Society (ACS)
- 対象利用者
- 一般
- DOI
- 10.1021/acs.organomet.4c00097
- 作成日（W3CDTF）
- 2024-07-10
- 著作権情報
- https://doi.org/10.15223/policy-029https://doi.org/10.15223/policy-037https://doi.org/10.15223/policy-045
- 参照
- パラジウム触媒のチェーンウォーキングを活用した選択的遠隔官能基化反応の開発
- 参照
- Metal‐Catalyzed Sequential Formation of Distant Bonds in Organic Molecules: Palladium‐Catalyzed Hydrosilylation/Cyclization of 1,<i>n</i>‐Dienes by Chain WalkingControlled isomerization polymerization of olefins, cycloolefins, and dienesA Computational Mechanistic Study of an Unprecedented Heck-Type Relay Reaction: Insight into the Origins of Regio- and EnantioselectivitiesMechanism and Origins of Diastereo‐ and Regioselectivities of Palladium‐Catalyzed Remote Diborylative Cyclization of Dienes via Chain‐Walking StrategyThermochemical comparison of organolithium basesComputational Insights on the Challenges for Polymerizing Polar MonomersElectronic effects in reversible 1,2-rearrangement of planar porphyrinato rhodium(III) alkylsDFT studies on isomerization reactions in the copolymerization of ethylene and methyl acrylate catalyzed by Ni-diimine and Pd-diimine complexesThe influence of a cyano-substituent on an alkyliron isomerization reactionChain-Walking Strategy for Organic Synthesis: Catalytic Cycloisomerization of 1,<i>n</i>-DienesChain-walking Cycloisomerization of 1,<i>n</i>-Dienes Catalyzed by Pyridine–Oxazoline Palladium Catalysts and Its Application to Asymmetric SynthesisSelective Long-Distance Isomerization of Terminal Alkenes via Nondissociative Chain WalkingPalladium(II) β-Agostic Alkyl Cations and Alkyl Ethylene Complexes: Investigation of Polymer Chain Isomerization MechanismsRemote Arylative Substitution of Alkenes Possessing an Acetoxy Group via β‐Acetoxy EliminationConformational Isomerization as a Process to Determine Selectivity over Reaction Pathways: Effect of Alkene Rotation in Chain Walking via Cis Alkene IntermediatesHyperbranched polyethylenes by chain walking polymerization: synthesis, properties, functionalization, and applicationsA consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-PuPalladium-Catalyzed Remote Diborylative Cyclization of Dienes with Diborons via Chain WalkingChain-walking reactions of transition metals for remote C–H bond functionalization of olefinic substratesEvaluation of the Agostic and Syndetic Donations in Aromatic Ring Agostic Interactions Involved in Heteroatom Ligand-Directed C–H Bond Activation1,2-Rearrangements of β-Nitrogen-Substituted (Porphyrinato)rhodium(III) EthylsInterception and Characterization of Alkyl and Acyl Complexes in Rhodium-Catalyzed Hydroformylation of StyreneChain Walking as a Strategy for Carbon–Carbon Bond Formation at Unreactive Sites in Organic Synthesis: Catalytic Cycloisomerization of Various 1,<i>n</i>-DienesPerformance of Density Functional Theory and Møller–Plesset Second-Order Perturbation Theory for Structural Parameters in Complexes of RuGaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogenDesymmetrization of prochiral methylenes by asymmetric chain-walking cyclization using bioxazoline palladium catalystsPalladium-Catalyzed Hydroboration/Cyclization of 1,<i>n</i>-DienesQuantum Crystallography and Complementary Bonding Analysis of Agostic Interactions in Titanium AmidesInfluence of the size of the phosphine ligand on primary-secondary alkyl isomerization equilibria with (Me2NCS2)Pt(PR3)(alkyl) complexesNBO Orbital Interaction Analysis for the Ambiphilic Metal–Ligand Activation/Concerted Metalation Deprotonation (AMLA/CMD) Mechanism Involved in the Cyclopalladation Reaction of<i>N</i>,<i>N</i>-Dimethylbenzylamine with Palladium AcetateAlkoxy stabilization and synthetic utility of tetrahedral carbanionsInvestigation of the Mechanism of Alkane Reductive Elimination and Skeletal Isomerization in Tp‘Rh(CNneopentyl)(R)H Complexes: The Role of Alkane ComplexesModeling Metal-Catalyzed Polyethylene Depolymerization: [(Phen)Pd(X)]<sup>+</sup> (X = H and CH<sub>3</sub>) Catalyze the Decomposition of Hexane into a Mixture of Alkenes via a Complex Reaction NetworkDevelopment and Mechanistic Interrogation of Interrupted Chain-Walking in the Enantioselective Relay Heck ReactionThermochemistry of grignard reagents. Enthalpies of formation of alkylmagnesium bromides and of alkyl bromidesOn the Mechanism of the Palladium Bis(NHC) Complex Catalyzed CH Functionalization of Propane: Experiment and DFT CalculationsScope and Mechanism in Palladium-Catalyzed Isomerizations of Highly Substituted Allylic, Homoallylic, and Alkenyl AlcoholsIsomerization of the alkyl group in (.eta.5-C5H5)Fe(CO)(PPh3)(alkyl) complexesTheoretical Study on the Halogen–Zinc Exchange Reaction by Using Organozincate CompoundsMechanistic Studies of Pd(II)−α-Diimine-Catalyzed Olefin Polymerizations<sup>1</sup>Investigating the Nature of Palladium Chain-Walking in the Enantioselective Redox-Relay Heck Reaction of Alkenyl AlcoholsNondissociative chain walking as a strategy in catalytic organic synthesisIsomerization–Hydroformylation Tandem ReactionsPalladium-Catalyzed Polymerization of Propene: DFT Model StudiesReversible Beta-Hydrogen Elimination of Three-Coordinate Iron(II) Alkyl Complexes: Mechanistic and Thermodynamic StudiesNovel 1,2-Rearrangement of Porphyrinatorhodium(III) Alkyls: Cis β-Hydride Elimination/Olefin Metal−Hydride Insertion PathwayIsomerization of the alkyl ligand in (Me2NCS2)Pd(PR3)(alkyl) complexes. Influences of heteroatom substituents in the alkyl group on the alkyl isomerization equilibria and stability of alkylmetal complexesWalking Metals for Remote FunctionalizationBenchmark Energetic Data in a Model System for Grubbs II Metathesis Catalysis and Their Use for the Development, Assessment, and Validation of Electronic Structure MethodsDensity Functional Study of the Mechanism of the Palladium(II)-Catalyzed Ethylene Polymerization ReactionDensity Functionals with Broad Applicability in ChemistryAlkyl isomerisation in three-coordinate iron(ii) complexesElectronic supplementary information (ESI) available: general considerations, synthesis of compounds, kinetic studies and crystal data. See http://www.rsc.org/suppdata/cc/b2/b209389h/Electronic Effects on the Stability of Isomeric Alkyl Transition Metal CompoundsCatalysis by gold. Alkyl isomerization, cis-trans rearrangement, and reductive elimination of alkylgold(III) complexesHydrozirconation. Organic synthesis via organozirconium intermediates. Synthesis and rearrangement of alkylzirconium(IV) complexes and their reaction with electrophilesThe M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
- 連携機関・データベース
- 国立情報学研究所 : CiNii Research
- 提供元機関・データベース
- Crossref科学研究費助成事業データベースCrossref