Category: iron-catalyst

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Extensive TDDFT calculations with various combinations of functionals are carried out to compute low-lying excited states of ferrocene. The combined functional and basis set approach TD-PBE0/6-311++G(d,p) is found to be well-behaved in the calculation of excited states. This choice of functional/basis set can give correct ground-state geometries, excitation energies, absorption spectra, and correct symmetry sequence of low level unoccupied molecular orbitals. This method is applied to the calculation of excitation energies of bis(benzene)chromium and four derivatives of ferrocene and the results are accurate within 0.3 eV. The current study implies that the combination TD-PBE0/6-311++G(d,p) can be used to compute excited state properties of other transition metal complexes.

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Reference：
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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Lithioferrocene, 1,1′-dilithioferrocene, lithioruthenocene and 1,1′-dilithioruthenocene all react with N,N-dimethylformamide in diethyl ether to produce the respective aldehydes.The lithiation of the two metallocenes can be steered to maximize the formation of only one of the two aldehydes by choosing either n-butyllithium in the presence of tetramethylethylenediamine (TMEDA) or t-butyllithium (tBuLi) as the metallating reagent: ferrocene mono-aldehydes or 1,1′-dialdehydes are formed with good yields (91percent and 85percent respectively, based on ferrocene), lower yields (50percent) of ruthenocene-1,1′-dialdehyde were obtained under the standard conditions, because the 1,3,1′-trialdehyde also formed in significant (19percent) amounts.Monolithiation by nBuLi and the formation of the ruthenocene monoaldehyde (yield, 66percent) are favoured when TMEDA is used in only catalytic amounts; lithiation of ruthenocene by tBuLi selectively leads to monolithioruthenocene and the mono-aldehyde (yield, 91percent).The products are easily purified by column chromatography.The simplicity and the high yield of these reactions make them much more desirable than the previously known multistep procedures.

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Reference：
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

Related Products of 1271-51-8, Chemistry graduates have much scope to use their knowledge in a range of research sectors, including roles within chemical engineering, chemical and related industries, healthcare and more. 1271-51-8, Name is Vinylferrocene, molecular weight is 203. In an Article，once mentioned of 1271-51-8

A base-free nickel-catalyzed hydroboration of unreactive simple alkenes with bis(pinacolato)diboron using methanol as the hydride source under mild conditions has been developed. Methanol as the solvent proved to be critical for the base-free conditions and high reactivity. A series of linear alkylboronates were synthesized in moderate to excellent yields with high regioselectivity.

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Reference：
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

Chemical engineers work across a number of sectors, processes differ within each of these areas, but chemistry and chemical engineering roles are found throughout, creation and manufacturing process of chemical products and materials. Synthetic Route of 1293-65-8. Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. Introducing a new discovery about 1293-65-8, Name is 1,1′-Dibromoferrocene

A series of thiophene tungsten Fischer carbene complexes of type [(CO)5W=C(OMe)R] (1, R = 2-Th; 4, R = fcthFc) and [(CO)5W=C(OMe)-R?-(OMe)C=W(CO)5] (2, R? = th; 5, R? = fcthfc) was synthesized for investigating low energy charge transfer interactions between the carbene substituents and the transition metal carbonyl fragment incorporating the thiophene heterocyclic system (Th = Thienyl; th = 2,5-thiendiyl; Fc = ferrocenyl; fc = 1,1?-ferrocenediyl). Electrochemical investigations were carried out on these complexes to get a closer insight into the electronic properties of 1, 2, 4 and 5. Typical electrode reactions could be found for the carbene reductions itself and for the tungsten carbonyl oxidation processes in all metal carbene complexes. However, for the thiophene complex 2 two well-separated one-electron reduction events were observed, suggesting an interaction of the Fischer carbene moieties in 2-, over the thiophene bridge. Reversible one-electron redox events for the ferrocenyl moieties in complexes 4 and 5 were also observed. During the UV-Vis-NIR spectroelectrochemical investigations typical low energy absorptions for the mixed-valent alpha,alpha?-diferrocenyl thiophene increment were found for these two complexes, as well as high energy NIR absorptions, which were attributed to metal-metal charge transfer transition between the tungsten carbonyl increment and the ferrocenyl units (complexes 4 and 5). Further infrared spectroelectrochemical studies reveal that the electronic interactions between the tungsten carbene and the ferrocenyl electrophores in the corresponding cationic species (4+, 42+, 5+, 52+) can be described with weakly coupled class II systems according to Robin and Day.

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Reference：
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

category: iron-catalyst, Researchers are common within chemical engineering and are often tasked with creating and developing new chemical techniques, frequently combining other advanced and emerging scientific areas.1273-86-5, Name is Ferrocenemethanol, molecular weight is 206.99. belongs to iron-catalyst compound, In an Article，once mentioned of 1273-86-5

A series of 1H-1,2,3-triazole linked Ferrocenyl-methoxy-methyl-Isatin conjugates was synthesized and assayed for their anti-proliferative activities against estrogen-responsive as well as estrogen non-responsive cell lines. The non-cytotoxic conjugate 7l, with an optimum combination of octyl chain as spacer and methyl-substituent at the C-5 position of isatin, proved to be a promising hit with an IC50 value of 14.62 muM against MCF-7 and 79.63 muM against MDA-MB-231 cells, respectively. The observed anti-proliferative activities of active conjugates were further corroborated via docking studies carried out on estrogen receptor subtypes alpha and beta.

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Reference：
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

Some examples of the diverse research done by chemistry experts include discovery of new medicines and vaccines,and development of new chemical products and materials. In a article, mentioned the application of 1273-86-5, Name is Ferrocenemethanol, molecular formula is C11H3FeO

A scanning electrochemical microscope (SECM) in the feedback and generation-collection modes was used to investigate the regeneration of photoexcited dye cations at the semiconductor/electrolyte interface in a dye-sensitized solar cell (DSSC) based on ZnO/D149. An effective dye regeneration rate constant kox of 9.55 × 107 cm 9/2 mol-3/2 s-1 was obtained from feedback mode experiments at different wavelengths and light intensities on ZnO/D149 electrodes. Illuminated regions of the dye-sensitized electrodes could be differentiated from non-illuminated regions by local imaging in SECM generation-collection experiments with I- as redox mediator. We also report SECM feedback measurements on non-illuminated dye-sensitized electrodes to investigate the electron transfer kinetics of dissolved redox couples at the underlying FTO substrate.

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Reference：
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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Electrodeposition of Sn from supercritical difluoromethane has been performed into anodic alumina templates with pores down to 3 nm in diameter and into mesoporous silica templates with pores of diameter 1.5 nm. Optimized deposits have been characterized using X-ray diffraction, scanning electron microscopy, and scanning transmission electron microscopy (bright field, high-angle annular dark field, and energy-dispersive X-ray elemental mapping). Crystalline 13 nm diameter Sn nanowires have been electrodeposited in symmetric pore anodic alumina. Direct transmission electron microscopy evidence of sub 7 nm Sn nanowires in asymmetric anodic alumina has been obtained. These same measurements present indirect evidence for electrodeposition through 3 nm constrictions in the same templates. A detailed transmission electron microscopy study of mesoporous silica films after Sn deposition is presented. These indicate that it is possible to deposit Sn through the 1.5 nm pores in the mesoporous films, but that the nanowires formed are not stable. Suggestions of why this is the case and how such extreme nanowires could be stabilized are presented.

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Reference：
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

Chemical engineers work across a number of sectors, processes differ within each of these areas, but chemistry and chemical engineering roles are found throughout, creation and manufacturing process of chemical products and materials. Safety of 1,1′-Diacetylferrocene. Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. Introducing a new discovery about 1273-94-5, Name is 1,1′-Diacetylferrocene

The reactions of mono(cyclopentadienyl)titanium(IV) trichloride with a new class of Schiff bases (H2L), derived by condensing 1,1?-diacetylferrocene with different 3-substituted phenyl-4-amino-5- mercapto-1,2,4-triazoIes, have been studied both by a conventional stirring method and also using microwave technology. Binuclear products of type [{eta5-C5H5)TiCl2}2 (L)] have been isolated in both cases. Tentative structural conclusions are drawn for the reaction products based upon analysis, electrical conductance, magnetic moment and spectral (UV-Visible, IR, 1H NMR and 13C NMR) data. FAB mass spectra of complexes were also recorded to confirm the binuclear structures. Studies were conducted to assess the growth inhibiting potential of the ligands and complexes against various fungal and bacterial strains.

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Reference：
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 involves the study of all things chemical – chemical processes, Synthetic Route of 1271-48-3, chemical compositions and chemical manipulation – in order to better understand the way in which materials are structured, how they change and how they react in certain situations. In a patent，Which mentioned a new discovery about 1271-48-3

The potassium bis-dithiocarbamate (bis-dtc) salts of 1,3- bis(benzylaminomethyl)benzene (1,3-Bn-ambdtc), 1,3-bis(iso-butylaminomethyl) benzene (1,3-iBu-ambdtc), 1,4-bis(benzylaminomethyl)benzene (1,4-Bn-ambdtc), and 1,4-bis(iso-butylaminomethyl)benzene (1,4- iBu-ambdtc) were reacted with three different diorganotin dichlorides (R2SnCl2 with R = Me, nBu, and Ph) in 1:1 stoichiometric ratios to give the corresponding diorganotin bis- dithiocarbamates. Additionally, the dimethyltin bis-dithiocarbamate of 1,1?-bis(benzylaminomethyl)ferrocene (1,1?-Bn-amfdtc) was prepared. The resulting complexes have been characterized as far as possible by elemental analysis, FAB+ mass spectrometry, IR and NMR (1H, 13C, and 119Sn) spectroscopy, and single-crystal X-ray diffraction, showing that the tin complexes are dinuclear 24- and 26-membered macrocyclic species of composition [{R2Sn(bis-dtc)}2]. As shown by 119Sn NMR spectroscopy, the tin centers are hexa-coordinated in all cases; however, two different coordination environments are possible, as detected by single-crystal X-ray diffraction. In the dimethyltin derivatives of 1,3-Bn-ambdtc, 1,3-iBu-ambdtc, 1,4-Bn-ambdtc, and 1,1?-Bn-amfdtc and the di-n-butyltin derivative of 1,3- iBu-ambdtc, the metal atoms are embedded in skewed-trapezoidal- bipyramidal coordination polyhedra with asymmetrically coordinating trans-oriented dtc groups. In contrast, in the diphenyltin derivative 1,3- iBu-ambdtc, the metal centers have distorted octahedral coordination with symmetrically coordinating cis-oriented dtc functions. Thus, for the complexes derived from 1,3-Bn/iBu-ambdtc, two different macrocyclic structures were observed. In the dimethyl- and di-n-butyltin derivatives, the bridging bis-dtc ligands adopt U-shaped conformations, while in the case of the diphenyltin derivative, the conformation is L-shaped. Furthermore, two different macrocyclic ring conformations can occurr, which differ in the spatial orientation of the substituents attached to the nitrogen atoms (Bn or iBu). The dimethyltin derivatives of 1,4-Bn-ambdtc and 1,1?-Bn-amfdtc have cavities, in which aromatic rings are accomodated in the solid state.

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Reference：
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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The diffusion of sugar in aqueous solution is important both in nature and in technological applications, yet measurements of diffusion coefficients at low water content are scarce. We report directly measured sucrose diffusion coefficients in aqueous solution. Our technique utilises a Raman isotope tracer method to monitor the diffusion of non-deuterated and deuterated sucrose across a boundary between the two aqueous solutions. At a water activity of 0.4 (equivalent to 90 wt% sucrose) at room temperature, the diffusion coefficient of sucrose was determined to be approximately four orders of magnitude smaller than that of water in the same material. Using literature viscosity data, we show that, although inappropriate for the prediction of water diffusion, the Stokes-Einstein equation works well for predicting sucrose diffusion under the conditions studied. As well as providing information of importance to the fundamental understanding of diffusion in binary solutions, these data have technological, pharmaceutical and medical implications, for example in cryopreservation. Moreover, in the atmosphere, slow organic diffusion may have important implications for aerosol growth, chemistry and evaporation, where processes may be limited by the inability of a molecule to diffuse between the bulk and the surface of a particle.

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Reference：
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