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Experimental charge density analysis of three symmetrically substituted ferrocene derivatives: 1,?- dimethyl ferrocene (1), decamethyl ferrocene (2), and 1,?-diacetyl ferrocene (3) was conducted. The electron donating or accepting propensities of the ferrocene substituents were evaluated. The metal ligand interactions in all analyzed compounds were found to be similar in terms of charge density concentrations at Bond Critical Points (BCPs), laplacian values, and deformation density features. The monopole population of iron in all cases tend to be slightly negative, suggesting charge donation from Cp ligands. d orbital populations in all cases adopt values in agreement with theoretical calculations and ligand field theory. The charge distribution over analyzed molecules does not correlate with the formal oxidation potential in the analyzed compounds, as compound 2 in the currently studied structure takes the place suitable for an unsubstituted ferrocene. The non-intuitive low energy of the eclipsed conformation of 1 compound finds some explanation in the existence of a bond critical point between atoms of the two methyl groups in the structure. An asymmetry of the atomic surroundings of the two oxygen atoms in the 3 structure, reflected by the differences in charge rho(rBCP) and ?2rho(rBCP) values and the shape of deformation density in the regions of oxygen lone electron pairs, is described.

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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. SDS of cas: 1273-94-5. 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 synthesis of structurally new types of strained 2-aza[3]ferrocenophanes, 9 and 10, which comprise a benzoquinuclidine framework incorporating a 1,1?-disubstituted ferrocene unit is reported. These compounds were prepared in four steps from the readily available 1,1?-diacetylferrocene and thoroughly characterized by spectroscopic means and electrochemical methods. The ligands 9 and 10 act as electrochemical sensors either of Mg2-, Zn2-, and Ni2+ cations (free ligands), where a new redox peak appears in the CV shifted 310-350 mV, or hydrogensulfate anion (protonated ligand) via a significant cathodic perturbation. The crystal structures of compounds 9 and 9b (9·HClO4) have been determined by single-crystal X-ray methods. In the latter compound the anion and cation are associated onto ribbons parallel to the z axis by four hydrogen bonds.

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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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A ferrocenyl ligand was prepared from condensation of 1,1?- diacetylferrocene dihydrazone with salicylaldehyde. The ligand forms 1:1 complexes with Pd(II) and Pt(II) in good yield. Characterization of the ligand and complexes was carried out using elemental analysis, infrared study, 1H and 13C nuclear magnetic resonance, and electronic absorption spectra. Anticancer activity of the prepared ligand and its complexes against human breast cancer cell line MCF-7 was determined, and the results were compared with the activity of the commonly used anticancer drug cisplatin. The results suggested that the prepared compounds possess significant antitumor activity comparable to the activity of cisplatin.

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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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By means of base-catalysed condensation of 1-acyl-/1,1?- diacylferrocenes (acylformyl or acetyl) with 3-formyl- and 3,7- diacetylphenothiazines a series of novel mono- and bis-chalcones were prepared. The enhanced reactivity of the enolate anions of the mono-chalcone intermediates relative to that of the enolates of the corresponding diacetyl-substituted precursor was interpreted by the electron-releasing effect of the ferrocenyl- or phenothiazinyl group present in the beta position of the enone subunit. The structures of the novel products were evidenced by IR, 1H and 13C NMR spectroscopy including 2D-COSY, 2D-HSQC and 2D-HMBC measurements.

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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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Friedel-Crafts acylations of ferrocene in 1-ethyl-3-methylimidazolium halogenoaluminate ionic liquids, [emim]I-(AlCl3)x are described.3 The effect of varying the “bulk” Lewis acidity of the ionic liquids used as solvents in these reactions and the effect of varying the relative amounts of acylating agent with respect to the amount of ferrocene in these reactions is also described. The use of a variety of different acylating agents in our studies demonstrates the scope of this reaction performed in these ionic liquid systems.

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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 invention discloses a ansa-ferrocene derivative of the tertiary amine and its preparation method and application. Its application in particular to the amount-of-substance ratio of 1:1 of the ansa-ferrocene derivative of the tertiary amine and the three (five fluoro phenyl) boron composition “hindered” Lewis acid alkali catalyst, the catalyst is applied to the obtained catalytic imine hydrogenation reduction reaction. The catalyst has good stability, to a certain extent can replace the heavy metal catalyst, can be from the source to prevent chemicals in on heavy metal pollution, it has better application value and potential social and economic benefits. (by machine translation)

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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 ensure the efficiency and safety of chemical processes, adapt the chemical make-up of products to meet environmental or economic needs, and apply new technologies to improve existing processes. SDS of cas: 1273-94-5. 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 chiral Cd(II) complex {[Cd(L)(CH3COO)2(H2O)]H2O}n {L = 1,1′-[bis-3-(3-pyridyl)pyrazol-5-yl]ferrocene} has been synthesised. The Cd(II) ion is coordinated by two pyridyl nitrogen atoms, two chelating acetate anions and one water molecule, showing a distorted pentagonal-bipyramidal coordination environment. Each ligand L serves as a bisconnector, bridging two Cd atoms through its two pyridyl moieties, to afford an infinite 1D left-handed helical chain along the a-axis with a short pitch of 5.8761 (9) A. Moreover, all of the left-handed helical chains are joined by hydrogen bonds to form a left-handed homochiral crystal.

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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 photolysis of 1,1?-diacylferrocenes Fc(COR)2 (Fc = Ferrocenyl, R = CH3,Ph) in the presence of 1,10-phenanthroline (phen) in deoxygenated acetonitrile under irradiation with visible light has been studied. In these photolysis systems the phen has two important roles to play: one is to stabilize the photo-liberated Fe2+ by coordination, and the other is to promote the photolysis through photo-ligand exchange. Under this condition the photoproducts were isolated in definite composition and characterized by single crystal X-ray diffraction, 1H NMR spectroscopy, IR spectroscopy, photolysis-cyclic voltammetry and elemental analysis. The mechanism of the reactions was demonstrated to be charge transfer from metal to acylcyclopentadienyl ring, leading to cleavage of the bond between them. The phen attacks the Fe2+ ion to give the stable tris (1,10-phenanthroline) iron(II) complex cation and the acylcyclopentadienyl ring detaches from the Fe2+ ion, giving the enolate anion in the outer sphere of the complex. Crystallographic data for photoproduct 1, [Fe(phen)3] (C5H4COCH3)2 ·CH3CN ·2H2O: triclinic, space group P-1 (No. 2), a=12.714(4), b=13.125(3), c= 14.946(5) A, alpha=106.45(1), beta=112.13(3), gamma=79.60(2). V=2208(1) A3, R = 0.041, RW = 0.052. Crystallographic data for photoproduct 2, [Fe(phen)3](C5H4COC6H 5)2 ·0.5C6H6 ·H2O: triclinic, space group P-1 (No. 2), a= 12.218 (4), b= 12.440 (3), c= 16.989 (2) A, alpha = 98.56(2), beta= 102.06(2), gamma= 100.98(3), V=2431(2) A3, R = 0.049, RW = 0.057.

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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, Computed Properties of C14H6FeO2, 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 1273-94-5

Conjugates of ferrocene and 4,5-dichloroisothiazole were synthesized, where the ferrocene and isothiazole moieties are linked through various structural fragments. The acylation of ferrocene with 4,5- dichloroisothiazole-3-carbonyl chloride gave (4,5-dichloroisothiazol-3-yl) ferrocenyl ketone; the acylation of aminomethylferrocene furnished the corresponding amide. The esterification of ferrocene-1,1?-dicarboxylic acid with 4,5-dichloroisothiazol-3-yl-methanol resulted in the formation of the corresponding ester. The condensation of 1,1?-diacetylferrocene with 4,5-dichloroisothiazole-3-carbaldehyde afforded ferrocenophane containing 4,5-dichloroisothiazole moieties.

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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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Conducting crystals of alternating ferrocene and diiodoacetylene units assembled into supramolecular 1-D chains via I?pi(Cp) halogen bonds were prepared and structurally characterized. Their structure and conductivity were compared with the ferrocene cocrystals with phenyliodoacetylene (C6H5C2I) and 1,4-di(ethynyliodo)phenylene. Electrical conductivity measurements of the ferrocene-based cocrystals revealed comparatively high electron-hole type conductivity in the ferrocene (FcH)-diiodoacetylene (C2I2) pair, a 3-order decrease in combination with the 1,4-di(ethynyliodo)phenylene linker, and it is virtually extinguished with the monotopic 1,2-phenyliodoacetylene. The increased electric conductivity of compound 1 is rationalized in terms of a weak charge transfer through the I?piCp halogen bonds in the [Cp-Fe-Cp?I-CC-I?]n polymeric chains.

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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