17685-52-8

Usage

Uses

Different sources of media describe the Uses of 17685-52-8 differently. You can refer to the following data:
1. It eliminates sulfur from substituted thiophene complexes, which leads to ferroles. Access to new areas of organometallic chemistry is promising using the reaction of Fe3(CO)12 with tellurium-nitrogen heterocycles such as benzoisotellurazole.
2. Eliminates sulfur from substituted thiophene complexes, leading to ferroles. Access to new areas of organometallic chemistry is promising using the reaction of Fe3(CO)12 with tellurium-nitrogen heterocycles such as benzoisotellurazole.

General Description

This product has been enhanced for catalytic efficiency.

Purification Methods

It usually contains 10% by weight of MeOH as stabiliser. This can be removed by keeping it in a vacuum at 0.5mm for at least 5hours. It can be sublimed slowly at high vacuum and is soluble in organic solvents. [Landesberg et al. J Org Chem 37 930 1972, Case & Whiting J Chem Soc 4632 1960, King & Stone Inorg Synth VII 193 1963.] TOXIC.

InChI:InChI=1/12CO.3Fe/c12*1-2;;;

Upstream product

• 16921-91-8 nitrosyl hexafluorophosphate 
• 77674-97-6 {((C₆H₅)3P)2N}⁽¹⁺⁾*{HFe₄(CO)12(CO)}^(1-)={((C₆H₅)3P)2N}{HFe₄(CO)12(CO)} 
• 10025-82-8 indium(III) chloride 
• 15321-51-4 diiron nonacarbonyl 
• 13463-40-6 iron pentacarbonyl 
• 131377-94-1 dimethyl sulfide iron tetracarbonyl 
• 56791-54-9 bis(triphenylphosphine)iminium tetracarbonylhydridoferrate⁽⁰⁾ 
• 89689-97-4 {(OC)3Mn(η5-thiophene)}SO3CF3 
• 14243-64-2 (triphenylphosphine)gold(I) chloride 
• 940-71-6 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine 
• 64913-30-0 disodium octacarbonyldiferrate 
• 82665-68-7 Fe₂(CO)8(C(H)CH₃) 
• 497-20-1 fulvene 
• 637-69-4 4-Methoxystyrene 

Downstream Products

• 14067-02-8 iron ⁽¹⁺⁾ 
• 13463-40-6 iron pentacarbonyl 
• 82540-99-6 hydridotri-ironundecacarbonylate 
• 201230-82-2 carbon monoxide 
• 7439-89-6 iron 
• 14741-34-5 tricarbonyl bis(triphenylphosphine) iron 
• 15739-18-1 (CO)2Fe(P(C₆H₅)3)3 
• 35679-07-3 tetracarbonyl(triphenylphosphine)iron 
• 15321-51-4 diiron nonacarbonyl 
• 12079-65-1 cymantrene 
• 960620-83-1 (CH₃OC₆H₄CHCHC(O)C₆H₅)Fe(CO)3 

Relevant academic research and scientific papers

Synthesis, structure, and some reactions of the cluster complex [(μ-H)2Fe5(μ3-Se)2(CO) 14]

In the reaction of Na2Se with [Fe(CO)5] in isopropanol with subsequent acidification with HCl, which is used to synthesize [(μ-H)2Fe3(μ3-Se)(CO)9] (II), the cluster [(μ-H)2Fe5(μ3-Se) 2(CO)14] (I) was detected. In assumption that compound I could serve as a suitable synthon for preparing the bulky heterometallic clusters, its reactions with the Rh-containing complexes were studied. The reaction of I with [Rh(CO)2Cp*] (Cp*is pentamethylcyclopentadienyl) was found to give a mixture of the products. The main reaction products were isolated and their structures were determined: [Fe2Rh(μ3-Se)2(CO)6Cp*], [Fe2Rh(μ3-Se)(μ3-CO)(CO) 6Cp*], [FeRh2(μ3-Se)(μ-CO)(CO) 3Cp 2 * ], [Fe2Rh2(μ 4-Se)(μ-CO)4(CO)2Cp 2 * ]. Potassium hydride treatment of II with subsequent addition of [Cp*Rh(CH3CN)3](CF3SO3) 2 leads to the well-known cluster complex [Fe3Rh(μ 4-Se)(CO)9Cp*]. A set of the reaction products indicates that the {Fe5Se2} core cannot be used as one-piece building block in the synthesis of heterometallic clusters.

Microwave spectra and the molecular structure of tetracarbonylethyleneiron

Microwave spectra of seven isotopomers of tetracarbonylethyleneiron were recorded using a Pulse-Beam Fourier Transform Microwave Spectrometer. Rotational transitions for a c dipole moment with J′ ← J from 2 ← 1 to 6 ← 5 were measured in the 4-12 GHz range. Rotational constants were determined by fitting the measured microwave spectra to a Watson A reduced Hamiltonian with centrifugal distortion parameters. The measured rotational constants of the main isotopomer are A = 1031.1081(4) MHz, B = 859.8055(4) MHz, and C = 808.5675(3) MHz. Data were also obtained for three 13C-substituted species and two 18O-substituted species in natural abundance. Additional spectra were measured for an isotopically enriched sample of perdeuterated tetracarbonylethyleneiron. The moments of inertia of the seven isotopomers were used in a Kraitchman analysis and in two different least-squares fitting analyses to determine the molecular structure of the compound. The ethylene ligand exhibits significant structural changes upon complexation to iron, primarily an increase in C-C bond length with movement of the hydrogen atoms away from the metal center. The C-C and C-H bond lengths were found to be ro = 1.419(7) and = 1.072(4) A, respectively. The C-C-H angle and the Fe-C-C-H dihedral angle were found to be 〈(C-C-H)o = 120.6(5)° and 〈(Fe-C-C-H)o = 103.6(9)°, respectively. The plane of the hydrogen atoms is displaced 0.217(2) A above the ethylene carbon atoms, along the c axis. Extensive DFT calculations were carried out prior to the experimental research. The calculated structure proved extremely valuable in obtaining accurate predictions for the spectra, and provided structural parameters in excellent overall agreement with measured parameters.

Surface-Modified Photochemistry. Preparation of Silica-Supported Fe3(CO)12 via Irradiation of Adsorbed Fe(CO)5

The photochemistry of silica-adsorbed Fe(CO)5 has been studied.IR and UV-visible spectra show that the only significant product is Fe3(CO)12 rather than Fe2(CO)9, which is the product observed following irradiation of Fe(CO)5 in the gas or liquid phase or in solution.Formation of Fe3(CO)12 is discussed in terms of a mechanism involving rapid secondary thermal reactions of a surface-complexed form of Fe(CO)4.

Synthesis and expansion reaction of ferrocenylacetylene dimetal carbonyl compounds. The molecular structures of μ-FcCCHCoMo(CO)5Cp and μ3-FcCHCFeCo2(CO)9

Two ferrocenylacetylene dimetal carbonyl clusters μ-FcCCHCo(CO)3M(CO)2Cp (2, M=Mo; 3, M=W) were obtained from the reactions of the precursor μ-FcCCHCo2(CO)6 1 with metal exchange reagents NaM(CO)3Cp in THF under reflux. The dimetal compounds 1, 2, and 3 can further react with Fe2(CO)9 in the presence of benzylideneacetone (BDA) to give the corresponding μ3-ferrocenylvinylidene bridged trimetal clusters μ3-FcCHCFeCo2(CO)9 4 and μ3-FcCHCFeCoM(CO)8Cp (5, M=Mo; 6, M=W), respectively, probably through the formation of the intermediate (BDA)Fe(CO)3 which acts as an Fe(CO)3 transfer-reagent. The new compounds 2-6 were characterized by C/H analysis, IR and 1H-NMR spectrocopies. The molecular structures of 2 and 4 were determined by X-ray structural analysis. 2 is triclinic with space group P1 (#2), a=8.733(2) A, b=14.870(3) A, c=8.200(2) A, α=92.77(2)°, β=101.78(2)°, γ=78.41(2)°, V=1021.2(4) A3, and Z=2; final R=0.025, Rw=0.034 for 2988 reflections. Cluster 4 is orthorhombic with space group P212121 (#19), a=12.186(5) A, b=14.870(5) A, c=7.800(6) A, V=2340(2) A3 and Z=4; final R=0.062, Rw=0.065 for 2401 reflections.

Synthesis and structural characterization of bimetallic iron-nickel carbido cluster complexes

In acetonitrile solvent, Fe5(CO)15(μ5- C), 1, reacts with Ni(COD)2 at room temperature to afford the iron-nickel complex Fe5NI(NCMe)(CO)15(μ6-C), 3. The acetonitrile ligand In 3 can be replaced by CO and NH3 to yield Fe5Ni(CO)16(μ6-C), 4, and Fe 5Ni(NH3)(CO)15(μ6-C), 6, respectively. When refluxed In acetonitrile solvent, compound 3 loses a vertex to form the square pyramidal Fe4Ni complex Fe4Ni(NCMe) 2(CO)12(μ5-C), 7. Compound 7 readily converts to Fe4Ni(NCMe)(CO)13(μ5-C), 8, by losing one of Its acetonitrile ligands. Addition of acetonitrile to 8 gives compound 7. When heated to 110 o°C under an atmosphere of CO, both compounds 7 and 8 furnish the octahedral Fe4NI2 complex Fe 4Ni2(CO)15(μ6-C), 9. All six compounds were structurally characterized by single-crystal X-ray diffraction analyses.

INSERTION D'ALLENES. VI. IDENTIFICATION DU SITE REACTIONNEL DES COMPLEXES ANIONIQUES RESULTANT DE LA REACTION D'ALLENES AVEC DES ACYL FERRATES DANS LEURS REACTIONS AVEC CERTAINS ELECTROPHILES. FORMATION DE COMPLEXES η4-TRIMETHYLENE METHANE DU FER. ISOMERISATION D'UN LIGAND η4-TR...

Aninos derived from the reaction between allenes and an alkylferrate are potential ambident nucleophiles which could react either at the metallic fragment site or at the oxo ligand oxygen atom.This last centre, which was already interacting preferentially with the cation Na+ in the starting metalate, has been shown to react with electrophiles such as trimethylsilyl chloride or H+.Neutral iron η4-trimethylenemethene is produced in high yield.With H+, the kinetic product is subsequently isomerised into a η4heterodiene complex.

The reaction of (μ3-CCO2R)Co2M(CO)8L (M = Co, Mo, W ; L = CO, MeCp ; R = Me, Et) with Na2[Fe(CO)4]. X-ray crystal structure analysis of (EtO2CCCCO2Et)Co4(CO

The reactions of clusters [(μ3-CCO2Et)Co2M(CO)8(MeCp)][M = Mo (2a), W (2b)], derived from the reactions of (μ3-CCO2Et)Co3(CO)9 with Na[M(CO)3(MeCp)], with N

MIXED-METAL CLUSTER DERIVATIVES OF Co3(μ3-CPh)(CO)9: CRYSTAL STRUCTURES OF Co3(μ3-CPh)(CO)9, HFeCo2(μ3-CPh)(CO)9, AND FeCo2(μ-AuPPh3)(μ3-CPh)(CO)9

The compound Co3(μ3-CPh)(CO)9 (1) reacts with Na2 in tetrahydrofuran to afford the mixed-metal hydride cluster HFeCo2(μ3-CPh)(CO)9 (2) after acid treatment.The structures of 1 and 2 have been determined by X-ray diffraction.The cluster 1 crystallizes in space group P1 (Z=4) with a 8.034(3), b 15.760(7), c 15.900(7) Angstroem, α 101.11(3), β 100.99(3), γ 100.13(3) deg, and the cluster 2 in the space group C2/c (Z=8) with a 14.114(4), b 7.804(3), c 33.844(12) Angstroem, β 96.13(3) deg.The two structures are similar, with a M3 triangle triply bridged by the alkylidyne carbon atom and with three terminal carbonyl ligands bonded to each metal atom.The hydride ligand in 2 could not be located from the difference Fourier maps, but the structure of its gold triphenylphosphine derivative FeCo2(μ-AuPPh3)(μ3-CPh)(CO)9 (3), which was synthesized in toluene by a direct reaction of 2 with Au(PPh3)Cl in the presence of TlPF6, indicates that the hydride ligand is in an edge bridging position.The cluster 3 crystallizes in space group Pna21 (Z=4) with a 34.617(6), b 8.793(2), c 11.226(2) Angstroem.

Cluster expansion reactions of group 6 and 8 metallaboranes using transition metal carbonyl compounds of groups 7-9

The reinvestigation of an early synthesis of heterometallic cubane-type clusters has led to the isolation of a number of new clusters which have been characterized by spectroscopic and crystallographic techniques. The thermolysis of [(Cp*Mo)2B4H4E2] (1: E = S; 2: E = Se; Cp* = η5-C5Me5) in presence of [Fe2(CO)9] yielded cubane-type clusters [(Cp*Mo)2(μ3-E)2B2H(μ-H) {Fe(CO)2}2Fe(CO)3], 4 and 5 (4: E = S; 5: E = Se) together with fused clusters [(Cp*Mo)2B4H 4E2Fe(CO)2Fe(CO)3] (8: E = S; 9: E = Se). In a similar fashion, reaction of [(Cp*RuCO)2B 2H6], 3, with [Fe2(CO)9] yielded [(Cp*Ru)2(μ3-CO)2B2H(μ- H){Fe(CO)2}2Fe(CO)3], 6, and an incomplete cubane cluster [(μ3-BH)3(Cp*Ru) 2{Fe(CO)3}2], 7. Clusters 4-6 can be described as heterometallic cubane clusters containing a Fe(CO)3 moiety exo-bonded to the cubane, while 7 has an incomplete cubane [Ru 2Fe2B3] core. The geometry of both compounds 8 and 9 consist of a bicapped octahedron [Mo2Fe2B 3E] and a trigonal bipyramidal [Mo2B2E] core, fused through a common three vertex [Mo2B] triangular face. In addition, thermolysis of 3 with [Mn2(CO)10] permits the isolation of arachno-[(Cp*RuCO)2B3H7], 10. Cluster 10 constitutes a diruthenaborane analogue of 8-sep pentaborane(11) and has a structural isomeric relationship to 1,2-[{Cp*Ru} 2(CO)2B3H7].

A 10-vertex iron - Dicarbollide system formed by insertion of Fe(CO) 4J into 8-vertex [closo-1-CB7H8]_: Synthesis and reactivity studies

Reaction of [NBu4n][closo-1-CB7H 8] with [Fe2(CO)9] in refluxing THF (tetrahydrofuran) gives the neutral ferradicarborane [2,2,2-(CO) 3-1-OH-closo-2,1, 10-FeC2B7H8] (3), which, upon treatment with PEt3 in the presence of Me3NO, yields [2,2-(CO)2-2-PEt3-1-OH-closo-2,1,10-Fe 2B7H8] (4). In 3 and 4 the 10-vertex (FeC 2B7] cluster has two carbon vertices in antipodal, four-connected positions and the iron atom in a five-coordinate site adjacent to a carbon vertex that bears an OH substituent. Treatment of 4 in THF with NaH and then R-X (X = Br, I) affords [2,2-(CO)2-2-PEt3-1-OR- closo-2,1,10-FeC2B7H8] (R = Me (5), CH 2CH=CH2 (6), CH2C=CH (7), CH2CCMe (8)). The pendant allyl group in 6 becomes η2-bonded to the iron center upon treatment with Me3NO in CH2Cl2, giving [2-CO-2-PEt3-1,2-η2OCH2CH=CH 2-closo-2,1, 10-FeC2B7H8] (9), which then with CNXyl (Xyl = C6H3Me2-2,6) in the presence Of PEt3 gives [2,2-(CNXyl)2-2-PEt 3-1-OCH2CH=CH2-closo-2,1,10-FeC 2B7H8] (10). Reaction between compound 7 and [Co2(CO)8] in petroleum ether yields [2,2-(CO) 2-2-PEt3-l-{OCH2-(μ- η2η2-CCH)Co2(CO)6}-closo-2, 1, 10-FeC2B7H8] (12), in which a [C 2Co2} tetrahedron is linked to the 10-vertex (FeC 2B7} cluster by an -OCH2- bridge. Heating compound 7 with [CO(CO)2(η-C5H5)] in refluxing toluene gives the complex [2,2-(CO)2-2-PEt 3-1,4-μ-(OC(H)=C(Me)-B}-closo-2,1, 10-FeC2B 7H7] (13a), which contains a 5-membered ring that involves one carbon vertex and an adjacent boron atom. Compound 13a yields [2-CO-2,2-(PEt3)2-1,4-μ-(OC(H)=C(Me)-B}-closo-2,1,10- FeC2B7H7] (13b) upon addition of further PEt3 in the presence of Me3NO. Treatment of compounds 7 and 8 with PEt3 in CH2Cl2 and in the presence of Me3NO affords the zwitterionic ylide species [2-CO-2-PEt 3-1,2-μ-{OCH2C(=C(R′)PEt3} }-closo-2,1,10-FeC2B7H8] (R′ = H (15), Me (17), respectively). In the latter pair, an -OCH2C{=C(R′) PEt3J group bonded to a cage carbon atom is also directly σ-bonded (at the β-position) to the adjacent iron vertex, forming a 5-membered ring. The novel structural features of compounds 4, 10, 12, 13, 15, and 17 have been confirmed by single-crystal X-ray diffraction studies.