Category: 1293-65-8

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Preparation, structural characterisation and electrochemical properties of iron(0) and tungsten(0) carbonyl complexes with 1-(diphenylphosphanyl)-1?-vinylferrocene and 1-(diphenylphosphanyl)-1?-(dimethylvinylsilyl)ferrocene as P-monodentate ligands

A new organometallic phosphanylalkene, 1-(diphenylphosphanyl)-1?-(dimethylvinylsilyl)ferrocene (2) was prepared and-together with 1-(diphenylphosphanyl)-1?-vinylferrocene (1)-studied as a ligand in iron- and tungsten-carbonyl complexes. The following complexes featuring the mentioned phosphanylalkenes as P-monodentate donors were isolated and characterised by spectral methods: [Fe(CO)4(L-kappaP)] (4, L = 1; 5, L = 2) and trans-[W(CO)4(L-kappaP)2] (6, L = 1; 7, L = 2). In addition, the solid-state structures of 4 and 6 have been determined by single-crystal X-ray diffraction and the electrochemical properties of compounds 1, 2, 4 and 6 were studied by cyclic voltammetry at platinum electrode.

Preparation, structural characterisation and electrochemical properties of iron(0) and tungsten(0) carbonyl complexes with 1-(diphenylphosphanyl)-1?-vinylferrocene and 1-(diphenylphosphanyl)-1?-(dimethylvinylsilyl)ferrocene as P-monodentate ligands

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Iron Catalysis in Organic Synthesis | Chemical Reviews,
Iron Catalysis in Organic Synthesis: A Critical Assessment of What It Takes To Make This Base Metal a Multitasking Champion

 

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Scalable Synthesis of Functionalized Ferrocenyl Azides and Amines Enabled by Flow Chemistry

A scalable access to functionalized ferrocenyl azides has been realized in flow. By halogen-lithium exchange of ferrocenyl halides and trapping with tosyl azide, a variety of functionalized ferrocenyl azides were obtained in high yields. To allow a scalable preparation of these potentially explosive compounds, a flow protocol was developed accelerating the reaction time to minutes and circumventing accumulation of potentially hazardous intermediates. The corresponding ferrocenyl amines were then prepared by a reliable reduction process.

Scalable Synthesis of Functionalized Ferrocenyl Azides and Amines Enabled by Flow Chemistry

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Iron Catalysis in Organic Synthesis | Chemical Reviews,
Iron Catalysis in Organic Synthesis: A Critical Assessment of What It Takes To Make This Base Metal a Multitasking Champion

 

1293-65-8, Name is 1,1′-Dibromoferrocene, belongs to iron-catalyst compound, is a common compound. category: iron-catalystIn an article, once mentioned the new application about 1293-65-8.

A mass spectrometric investigation of chloro-, bromo- and methyl-ferrocenes by electron and photon impact ionisation

Various ferrocenes Fe(C5H5-nCln)2 (n = 1-5), Fe(C5H4Br)2, Fe(C5H5-n(CH3)n)2 (n = 1-5) have been investigated by electron and photon impact mass spectroscopy.Ionisation and appearance potentials (IP/AP) have been measured and we have characterized the influence of substitutions of CH3, Cl, or Br at the cyclopentadienyl rings upon the IPs, Aps, and the fragmentation pathways.In addition, some bond energies are derived.

A mass spectrometric investigation of chloro-, bromo- and methyl-ferrocenes by electron and photon impact ionisation

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Iron Catalysis in Organic Synthesis | Chemical Reviews,
Iron Catalysis in Organic Synthesis: A Critical Assessment of What It Takes To Make This Base Metal a Multitasking Champion

 

1293-65-8, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.1293-65-8, Name is 1,1′-Dibromoferrocene, molecular formula is C10Br2Fe. In a Article, authors is Siemeling£¬once mentioned of 1293-65-8

1,1?-Di(arylamino)ferrocenes. A new family of privileged [N,N] ligands with tunable steric control for applications in homogeneous organometallic catalysis and coordination chemistry

Fe[(C5H4)NHPh]2 (2a) was prepared from 1,1?-dibromoferrocene and N-phenylacetamide by an Ullmann reaction and subsequent basic solvolysis of the coupling product Fe[(C5H 4)N(COMe)Ph]2 (1a). This solvolysis failed in the case of the bulkier Fe[(C5H4)N(COMe)(2,6-Me2C 6H3)]2 (1b). Fe[(C5H 4)N(2,6-Me2C6H3)]2 (2b) and Fe[(C5H4)N(2,4,6-iPr3C6H 2)]2 (2c) were obtained by Hartwig-Buchwald type cross-coupling of 1,1?-diaminoferrocene with the respective aryl bromide.

1,1?-Di(arylamino)ferrocenes. A new family of privileged [N,N] ligands with tunable steric control for applications in homogeneous organometallic catalysis and coordination chemistry

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Iron Catalysis in Organic Synthesis | Chemical Reviews,
Iron Catalysis in Organic Synthesis: A Critical Assessment of What It Takes To Make This Base Metal a Multitasking Champion

 

1293-65-8, In heterogeneous catalysis, the catalyst is in a different phase from the reactants. At least one of the reactants interacts with the solid surface in a physical process called adsorption in such a way. 1293-65-8, name is 1,1′-Dibromoferrocene. In an article£¬Which mentioned a new discovery about 1293-65-8

Trans Influence on the Rate of Reductive Elimination. Reductive Elimination of Amines from Isomeric Arylpalladium Amides with Unsymmetrical Coordination Spheres

To determine the trans effect on the rates of reductive eliminations from arylpalladium(II) amido complexes, the reactions of arylpalladium amido complexes bearing symmetrical and unsymmetrical DPPF (DPPF = bis(diphenylphosphino)ferrocene) derivatives were studied. THF solutions of LPd(Ar)(NMeAr?) (L = DPPF, DPPF-OMe, DPPF-CF3, DPPF-OMe,Ph, DPPF-Ph,CF3, and DPPF-OMe,CF3; Ar = C6H 4-4-CF3; Ar? = C6H4-4-CH 3, Ph, and C6H4-4-OMe) underwent C-N bond forming reductive elimination at -15 C to form the corresponding N-methyldiarylamine in high yield. Complexes ligated by symmetrical DPPF derivatives with electron-withdrawing substituents on the DPPF aryl groups underwent reductive elimination faster than complexes ligated by symmetrical DPPF derivatives with electron-donating substituents on the ligand aryl groups. Studies of arylpalladium amido complexes containing unsymmetrical DPPF ligands revealed several trends. First, the complex with the weaker donor trans to nitrogen and the stronger donor trans to the palladium-bound aryl group underwent reductive elimination faster than the regioisomeric complex with the stronger donor trans to nitrogen and the weaker donor trans to the palladium-bound aryl group. Second, the effect of varying the substituents on the phosphorus donor trans to the nitrogen was larger than the effect of varying the substituents on the phosphorus donor trans to the palladium-bound aryl group. Third, the difference in rate between the isomeric arylpalladium amido complexes was similar in magnitude to the differences in rates resulting from conventional variation of substituents on the symmetric phosphine ligands. This result suggests that the geometry of the complex is equal in importance to the donating ability of the dative ligands. The ratio of the differences in rates of reaction of the isomeric complexes was similar to the relative populations of the two geometric isomers. This result and consideration of transition state geometries suggest that the reaction rates are controlled more by substituent effects on ground state stability than on transition state energies. In addition, variation of the aryl group at the amido nitrogen showed systematically that complexes with more electron-donating groups at nitrogen undergo faster reductive elimination than those with less electron-donating groups at nitrogen.

Trans Influence on the Rate of Reductive Elimination. Reductive Elimination of Amines from Isomeric Arylpalladium Amides with Unsymmetrical Coordination Spheres

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Iron Catalysis in Organic Synthesis | Chemical Reviews,
Iron Catalysis in Organic Synthesis: A Critical Assessment of What It Takes To Make This Base Metal a Multitasking Champion

 

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Intramolecular electron transfer in mixed-valence biferrocenium salts containing heteroatoms: Preparation, structure, and 57Fe moessbauer characteristics

A convenient new method is developed for the preparation of 1?,1?-disubstituted biferrocenes which can be oxidized with iodine to a new series of mixed-valence compounds. The X-ray structures of 1?,1?-dimethoxymethyl, 1?,1?-diethoxyl, 1?,1?-dimethyl, 1?,1?-dihydroxymethyl, 1?,1?-dibenzoyloxymethyl, 1?,1?-dimethylthio, and 1?,1?-diethylthio neutral biferrocenes and the mixed-valence 1?,1?-diethoxyl, 1?,1?-dimethyl, 1?,1?-dibenzoyloxymethyl, and 1?,1?-diphenylthio biferrocenium triiodide salts have been determined at 298 K. The rates of intramolecular electron transfer in these mixed-valence cations were estimated by variable-temperature 57Fe Moessbauer experiment.

Intramolecular electron transfer in mixed-valence biferrocenium salts containing heteroatoms: Preparation, structure, and 57Fe moessbauer characteristics

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Iron Catalysis in Organic Synthesis | Chemical Reviews,
Iron Catalysis in Organic Synthesis: A Critical Assessment of What It Takes To Make This Base Metal a Multitasking Champion

 

Because a catalyst decreases the height of the energy barrier, 1293-65-8, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.1293-65-8, Name is 1,1′-Dibromoferrocene, molecular formula is C10Br2Fe. In a article£¬once mentioned of 1293-65-8

ELECTRONIC STRUCTURE OF HALOGENOFERROCENES STUDIED BY He(I) PHOTOELECTRON SPECTROSCOPY

He(I) photoelectron (PE) spectra are reported for chloroferrocene Fe(eta-C5H4Cl)(eta-C5H5) and 1,1′-dihalogenoferrocenes Fe(eta-C5H4X)2 (X=Cl, Br).The difference between the ionization potentials (IP’s) of the e2g(d) and a1g(d) level is not affected by the ring substitution.Only the splitting of the e1u(?) level of the ligand is observed in the spectra.From the magnitudes of the splittings of this level and halogen non-bonding orbitals it is concluded that there is significant mixing of iron p orbitals with the e1u(?) level.The spectrum of Fe(eta-C5H4Cl)2 indicates that there is an interaction between the non-bonding out-of-plane chlorine p orbitals.

ELECTRONIC STRUCTURE OF HALOGENOFERROCENES STUDIED BY He(I) PHOTOELECTRON SPECTROSCOPY

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Iron Catalysis in Organic Synthesis | Chemical Reviews,
Iron Catalysis in Organic Synthesis: A Critical Assessment of What It Takes To Make This Base Metal a Multitasking Champion

 

Chemistry is an experimental science, and the best way to enjoy it and learn about it is performing experiments. 1293-65-8. Introducing a new discovery about 1293-65-8, Name is 1,1′-Dibromoferrocene

Synthesis of 1-[bis(trifluoromethyl)phosphine]-1′- oxazolinylferrocene ligands and their application in regio- and enantioselective Pd-catalyzed allylic alkylation of monosubstituted allyl substrates

A class of novel, easily accessible and air-stable 1-[bis(trifluoromethyl) phosphine]-1′-oxazolinylferrocene ligands has been synthesized from ferrocene. It became apparent that these ligands can be used in the regio- and enantioselective Pd-catalyzed allylic alkylation of monosubstituted allyl substrates in a highly efficient manner. Excellent regio- and enantioselectivity could be obtained for a wide range of substrates.

Synthesis of 1-[bis(trifluoromethyl)phosphine]-1′- oxazolinylferrocene ligands and their application in regio- and enantioselective Pd-catalyzed allylic alkylation of monosubstituted allyl substrates

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Iron Catalysis in Organic Synthesis | Chemical Reviews,
Iron Catalysis in Organic Synthesis: A Critical Assessment of What It Takes To Make This Base Metal a Multitasking Champion

 

In heterogeneous catalysis, the catalyst is in a different phase from the reactants. 1293-65-8, At least one of the reactants interacts with the solid surface in a physical process called adsorption in such a way. 1293-65-8, name is 1,1′-Dibromoferrocene. In an article£¬Which mentioned a new discovery about 1293-65-8

Synthesis of Two Isomeric Ferrocene Phosphanylcarboxylic Acids and their PdII Complexes with and without Auxiliary ortho-Metalated C,E-Ligands (E = N and S)

Two homologous ferrocene phosphanylcarboxylic acids, viz., 1?-[(diphenylphosphanyl)methyl]ferrocene-1-carboxylic acid (HL1) and [1?-(diphenylphosphanyl)ferrocenyl]acetic acid (HL2), were synthesized and studied as ligands in PdII complexes. The addition of these hybrid donors to [PdCl2(MeCN)2] led to the bis-phosphane complexes trans-[PdCl2(HL1-kappaP)2] and trans-[PdCl2(HL2-kappaP)2]. In contrast, the reactions of HL1 and HL2 with the PdII acetylacetonate (acac) complexes [(LYC)Pd(acac)], where LYC = 2-[(dimethylamino-kappaN)methyl]phenyl-kappaC1 (LNC) and 2-[(methylthio-kappaS)methyl]phenyl-kappaC1 (LSC), proceeded under proton transfer and replacement of the acac ligand, giving rise to O,P-bridged phosphanylcarboxylate dimers [LYCPd(mu(P,O)-L1)]2 and molecular chelates [LYCPd(L2-kappa2O,P)]2, respectively. The analogous reactions involving 1?-(diphenylphosphanyl)-1-ferrocenecarboxylic acid (Hdpf) provided the macrocyclic tetramer [LNCPd(mu(P,O)-dpf)]4 and the dimer [LSCPd(mu(P,O)-dpf)]2. The reactions of HL1 with [Pd(acac)2] only led to an ill-defined, insoluble material, whereas those with HL2 produced a separable mixture of the bis-chelate complexes trans-[Pd(L2-kappa2O,P)2], cis-[Pd(L2-kappa2O,P)2], and [Pd(acac)(L2-kappa2O,P)].

Synthesis of Two Isomeric Ferrocene Phosphanylcarboxylic Acids and their PdII Complexes with and without Auxiliary ortho-Metalated C,E-Ligands (E = N and S)

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 1293-65-8 is helpful to your research. 1293-65-8

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Iron Catalysis in Organic Synthesis | Chemical Reviews,
Iron Catalysis in Organic Synthesis: A Critical Assessment of What It Takes To Make This Base Metal a Multitasking Champion

 

1293-65-8, Chemistry can be defined as the study of matter and the changes it undergoes. You¡¯ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology.1293-65-8, Name is 1,1′-Dibromoferrocene, molecular formula is C10Br2Fe, introducing its new discovery.

Prediction of the reduction potential in transition-metal containing complexes: How expensive? For what accuracy?

Accurate computationally derived reduction potentials are important for catalyst design. In this contribution, relatively inexpensive density functional theory methods are evaluated for computing reduction potentials of a wide variety of organic, inorganic, and organometallic complexes. Astonishingly, SCRF single points on B3LYP optimized geometries with a reasonably small basis set/ECP combination works quite well–B3LYP with the BS1 [modified-LANL2DZ basis set/ECP (effective core potential) for metals, LANL2DZ(d,p) basis set/LANL2DZ ECP for heavy nonmetals (Si, P, S, Cl, and Br), and 6-31G(d’) for other elements (H, C, N, O, and F)] and implicit PCM solvation models, SMD (solvation model based on density) or IEFPCM (integral equation formalism polarizable continuum model with Bondi atomic radii and alpha = 1.1 reaction field correction factor). The IEFPCM-Bondi-B3LYP/BS1 methodology was found to be one of the least expensive and most accurate protocols, among six different density functionals tested (BP86, PBEPBE, B3LYP, B3P86, PBE0, and M06) with thirteen different basis sets (Pople split-valence basis sets, correlation consistent basis sets, or Los Alamos National Laboratory ECP/basis sets) and four solvation models (SMD, IEFPCM, IPCM, and CPCM). The MAD (mean absolute deviation) values of SCRF-B3LYP/BS1 of 49 studied species were 0.263 V for SMD and 0.233 V for IEFPCM-Bondi; and the linear correlations had respectable R2 values (R2 = 0.94 for SMD and R2 = 0.93 for IEFPCM-Bondi). These methodologies demonstrate relatively reliable, convenient, and time-saving functional/basis set/solvation model combinations in computing the reduction potentials of transition metal complexes with moderate accuracy.

Prediction of the reduction potential in transition-metal containing complexes: How expensive? For what accuracy?

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Iron Catalysis in Organic Synthesis | Chemical Reviews,
Iron Catalysis in Organic Synthesis: A Critical Assessment of What It Takes To Make This Base Metal a Multitasking Champion