Some scientific research about 1,1′-Ferrocenedicarboxaldehyde

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Polarizability of ferrocene derivatives from quantum mechanical delta-function potentials

The atomic bond and molecular polarizabilities of some ferrocene derivatives have been calculated using variational method and delta-function electronic wave functions.Scales have been presented, where the derivatives are classified in order of their polarization properties.Common trends and patterns of behaviour are recognized and discussed.

Polarizability of ferrocene derivatives from quantum mechanical delta-function potentials

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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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Synthesis and nonlinear optical properties of carbonylrhenium bromide complexes with conjugated pyridines

Carbonylrhenium bromide complexes fac-Br(OC)3ReL2 (3a,b, 4a,b) and cis-Br(OC)4ReL (5a,b) with conjugated pyridines L = Fc-CH=CH-p-C5H4N (1a), Fc-CH=CHC-(CH3)=CHCH=CHCH=C(CH3)CH=CH-p-C5H4N (1b), 1,1′-Fc(-CH=CH-p- C5H4N)2 (1c), p-Me2N-C6H4-CH=CHCH=CH-p-C5H4N (2a), and p-Me2N- C6H4-CH=CHC(CH3)=CHCH=CHCH=C(CH3)-CH=CH-p-C5H4N (2b) have been synthesized. The structures of 4a and 5a have been determined by X-ray diffraction analysis. Compound 4a exhibits a remarkable quadratic hyperpolarizability.

Synthesis and nonlinear optical properties of carbonylrhenium bromide complexes with conjugated pyridines

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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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Application of 1271-48-3, Catalysts function by providing an alternate reaction mechanism that has a lower activation energy than would be found in the absence of the catalyst. In some cases, the catalyzed mechanism may include additional steps.In a article, 1271-48-3, molcular formula is C12H10FeO2, introducing its new discovery.

Crystal engineering with structurally flexible 1,1?-substituted ferrocenes for nonlinear optical materials

Cocrystals derived from 1,1?-bis(ethenyl-4-pyridyl)ferrocene (1) and resorcinol/phloroglucinol and a crystal of 1,1?-bis-(ethenyl-4-quinolinyl)ferrocene (5) have been studied with the aim of engineering crystalline NLO materials. X-ray structure analyses revealed a NLO active syn-type molecular conformation of 1 and 5 via hydrogen bonding with resorcinol/phloroglucinol and pi-pi interaction between quinoline rings, respectively. For 5, all molecular dipoles are aligned in the same direction and the SHG efficiency is about 4 times that of urea. ( Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003).

Crystal engineering with structurally flexible 1,1?-substituted ferrocenes for nonlinear optical materials

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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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Structure elucidation and DFT-study on substrate-selective formation of chalcones containing ferrocene and phenothiazine units. Study on ferrocenes, Part 17

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.

Structure elucidation and DFT-study on substrate-selective formation of chalcones containing ferrocene and phenothiazine units. Study on ferrocenes, Part 17

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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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Ferrocene-based compartmental ligand for the assembly of neutral Zn II/LnIII heterometallic complexes

A ferrocene-based compartmental ligand, H2L, was synthesized by the reaction of diacetyl ferrocene with hydrazine hydrate followed by a condensation reaction with o-vanillin. [L]2- possesses a dual coordination pocket, an inner pocket of 2 imino nitrogens and two phenolate oxygens and an outer pocket of two phenolate and two methoxy oxygen atoms. Utilizing this ligand, several ZnII/LnIII heterobimetallic complexes were assembled: [LZn(mu-OAc)Dy(NO3)2] (2), [LZn(mu-OAc)Tb(NO3)2] (3), [LZn(mu-OAc)Gd(NO 3)2¡¤2CHCl3] (4), [LZn(mu-OAc) Er(NO3)2] (5), [LZn(mu-OAc)Ho(NO3) 2] (6), [LZn(mu-OAc)Eu(NO3)2] (7). All of these metal complexes are neutral and isostructural: the ZnII ion occupies the inner coordination pocket while the LnIII ion occupies the outer coordination pocket of the doubly deprotonated ligand [L] 2-. Zn(ii) has a coordination number of 5 (2N, 3O) in a square pyramidal coordination geometry while Ln(iii) has a coordination number of 9 (9O) in a distorted tricapped trigonal prismatic geometry. Zn(ii) and the 4f metal ion are bridged to each other by two phenolate oxygen atoms and an acetate ligand. ESI-MS reveals that 2-7 retain their structural integrity in solution. Cyclic voltammetry of 1-7 revealed a quasi-reversible oxidation (involving the ferrocene motif) and an irreversible reduction of the hydrazone unit. Magnetic studies of 2, 3 and 6 were carried out. Ac susceptibility studies did not reveal slow relaxation of magnetization.

Ferrocene-based compartmental ligand for the assembly of neutral Zn II/LnIII heterometallic complexes

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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 first application of C2-symmetric ferrocenyl phosphinite ligands for rhodium-catalyzed asymmetric transfer hydrogenation of various ketones

Homogeneous catalysis has been responsible for many major recent developments in synthetic organic chemistry. The combined use of organometallic and coordination chemistry has produced a number of new and powerful synthetic methods for important classes of compounds in general and for optically active substances in particular. For this aim, a new class of chiral modular C2-symmetric ferrocenyl phosphinite ligands has been prepared in good yields by using the inexpensive 1,1?-ferrocenedicarboxyaldehyde and various ferrocene based-amino alcohols as starting materials, and applied in the rhodium(I)-catalyzed asymmetric transfer hydrogenation (ATH) of aromatic ketones to give corresponding secondary alcohols with excellent enantioselectivities and reactivities using isoPrOH as the hydrogen source (up to 99% conversion and 99% ee). The substituents on the backbone of the ligands are found to exhibit a remarkable effect on both the activity and % ee. The structures of these ligands and their complexes have been elucidated by a combination of multinuclear NMR spectroscopy, IR spectroscopy and elemental analysis.

The first application of C2-symmetric ferrocenyl phosphinite ligands for rhodium-catalyzed asymmetric transfer hydrogenation of various ketones

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

 

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Preparation and some chemistry of ferrocenylethynyl ketones

Reactions of Fc?(CHO)2 1 (Fc? = 1,1?-ferrocenediyl) with LiC{triple bond, long}CR gave substituted propargylic alcohols Fc?{CH(OH)C{triple bond, long}CR}2 (R = SiMe3 2, Fc 9). Oxidation (MnO2) of these alcohols afforded the bis(alkynyl ketone)s Fc?{C(O)C{triple bond, long}CR}2 (R = SiMe3 3, Fc 10), the former being accompanied by the partially desilylated Fc?{C(O)C{triple bond, long}CH}-1-{C(O)C{triple bond, long}CSiMe3}-1? 4. The reaction between 4 and RuCl(dppe)Cp in the presence of Na[BPh4] gave the cyclic vinylidene complex [Ru{{double bond, long}C{double bond, long}C[C(O)Fc?C(O)CH{double bond, long}CH]}(dppe)Cp]BPh4 5. The diastereomers were separated by flash chromatography (2) or preparative t.l.c. (9) to give the cis (2a, 9a) and trans (2b, 9b) isomers. Cyclisation of each isomer to the corresponding ferrocenophane was catalysed by pTSA to give Fc?{[CH(C{triple bond, long}CR)]2O} (R = SiMe3 6a, 6b; Fc 11a, 11b), of which 6a, 6b could be desilylated to Fc?{[CH(C{triple bond, long}CH)]2O} 7a, 7b, and further transformed into the bis(eta2-alkyne-dicobalt) complexes Fc?{[CH(eta2-C2H[Co2(mu-dppm)(CO)4])]2O} 8a, 8b with Co2(mu-dppm)(CO)6. Molecular structures of 3, 5, 6a, 6b, 7a, 7b and 10 were determined by single-crystal XRD methods.

Preparation and some chemistry of ferrocenylethynyl ketones

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2-Phospha[3]ferrocenophanes with planar chirality: Synthesis and use in enantioselective organocatalytic [3 + 2] cyclizations

Planar chiral phosphines displaying a new ferrocenophane scaffold have been prepared via a stereoselective approach. The P-cyclohexyl substituted phosphine affords high levels of asymmetric induction in the organocatalytic [3 + 2] annulation reaction between allenes and electron-poor olefins. Copyright

2-Phospha[3]ferrocenophanes with planar chirality: Synthesis and use in enantioselective organocatalytic [3 + 2] cyclizations

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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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Design and synthesis of new functional compounds related to ferrocene bearing heterocyclic moieties. A new approach towards electron donor organic materials

The synthesis of heterocyclic systems incorporating more than one ferrocene unit was shown to be a facile and convenient route for the synthesis of new ferrocene-heterocycles. Hydrazide 2 was prepared and cyclized to oxadiazole, triazole, and pyrazole using the procedures described in this context with good yields. A pyrazolone derivative could not be obtained and instead a hydrazone derivative 17 was isolated. Hydrazide 2 was condensed with aromatic aldehydes and ferrocene-1,1?-dicarbaldehyde derivatives to give the corresponding hydrazones 11a-c and dihydrazones 12, 14 and 18 in high yields. Cyclic voltammetry (CV) of the selected ferrocene-heterocycles 8 and 9 was studied comparing with the parent ferrocene and acetylferrocene. The CV of the compound 8 revealed an additional, quasireversible, one-electron oxidation wave at 849 mV, corresponding to the second ferrocene unit connected to the oxadiazole ring through the SCH2CO spacer.

Design and synthesis of new functional compounds related to ferrocene bearing heterocyclic moieties. A new approach towards electron donor organic materials

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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 fluorescent (E)-poly(p-phenylenephosphaalkene) prepared by a phospha-Wittig reaction

A soluble (E)-poly(p-phenylenephosphaalkene) having sterically encumbering ligands has been prepared by a phospha-Wittig reaction. This material exhibits a bathochromic shift with respect to E-PPV and with respect to representative model oligomers. We also report the first fluorescence study of a poly(p-phenylenephosphaalkene) and find that this material exhibits fluorescence, though with modest intensity relative to similarly sized carbon-based analogues.

A fluorescent (E)-poly(p-phenylenephosphaalkene) prepared by a phospha-Wittig reaction

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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