Theoretical Studies on the Cu-Cu Interaction and Stability of [Cu_a(Ph_2Ppy)_b(CH_3CN)_c]~(a+) (a=1～2,b=1～3,c=0～2)

To study the Cu-Cu interaction and stability of the title complexes,the structures of complexes [Cu(Ph2Ppy)(CH3CN)]+ 1,[Cu(Ph2Ppy)]+ 2,[Cu2(Ph2Ppy)2(CH3CN)2]2+ 3,[Cu2(Ph2Ppy)2(CH3CN)]2+ 4,[Cu2(Ph2Ppy)2]2+ 5 and [Cu2(Ph2Ppy)3(CH3CN)]2+ 6 were calculated by density functional theory PBE0 method,and the following conclusions can be drawn:(1) There is no orbital overlapping between two Cu atoms,indicating no Cu-Cu orbital interaction exists in complexes 3～6.Due to a breakdown of the closed shell configuration of Cu atoms,the weak Cu-Cu interactions result from the 3dCu → 4sCu' charge-transfer in 4～6.The Cu-Cu interaction strength follows 5 6 4,implying that there are stronger Cu-Cu interactions in the complexes with fewer CH3CN or more Ph2Ppy ligands.(2) The calculated interaction energies suggest that the coordination of Cu to Ph2Ppy is stronger than that to CH3CN.In 3～6,there are weaker interactions between Cu and CH3CN or Ph2Ppy in the complexes with more CH3CN or Ph2Ppy ligands.(3) The P-Cu and N-Cu interactions are much stronger than the Cu-Cu interaction,so we mainly attribute the stabilities of the binuclear complexes to the eight-membered rings Cu2P2N2C2.     

Synthesis,crystal structure,magnetic properties and second harmonic generation of a new noncentrosymmetric coordination compound:Triaqua(4-amino-6-methoxypyrimidine) cuprate(Ⅱ)sulfate

The chemical preparation, crystal structure and infrared spectroscopic characterization of the triaqua(4-amino-6-methoxypyrimidine) cuprate(II) sulfate, [Cu(C_5H_7N_3)(H_2O)_3]SO_4, is reported. The compound crystallizes in the noncentrosymmetric orthorhombic space group P2_12_12_1 with lattice parameters a = 7.9025(3), b = 11.1189(4), c = 12.9720(4) , V = 1139.81(7) ~3 and Z = 4. The Cu(II) cation is fivecoordinated, in an early half-way between square pyramidal and trigonal bipyramidal fashion, by two nitrogen atoms of the 4-amino-6-methoxypyrimidine ligand and three water oxygen atoms. In the atomic arrangement, the organic ligands and the 5-connected Cu centers are linked with each other to give a 1-D corrugated hybrid chain running along the b-axis direction. The chains are interconnected by the SO_4~(2-) anions via O–H...O, O–H...S, C–H...O and N–H...O hydrogen bonds to form layers spreading parallel to the(011) plane. The vibrational absorption bands were identified by infrared spectroscopy. Quantitative measurements of the second harmonic generation(SHG) of a powdered sample at 1064 nm were performed and a relative efficiency of 5.2 times the KDP standard was observed. Magnetic properties were also defined to characterize the complex. Magnetic measurements revealed that this material had a onedimensional antiferromagnetic character. The magnetic parameters were g = 2.11 and 2J/k B = -36 K.     

A fluorescent Eu(Ⅲ) MOF for highly selective and sensitive sensing of picric acid

A metal-organic framework [Eu_3L_3(CH_3COO)_2(H_2O)_2(μ_3-OH)]·3 DMF,(EuL, H_2L=9H-carbazole-2,7-dicarboxylic acid,DMF=N,N-dimethylformamide) has been synthesized under solvothermal conditions and structurally characterized. In EuL,Eu_6O_8 clusters are four-bridged by carboxylates to form parallel-aligned Eu–O–C chains, which are further linked by the carbazole moieties of L~(2-) ligands to form the three-dimensional framework with rhombic channels. The EuL material with characteristic emission of Eu~(3+) ion exhibits significant luminescence quenching response for picric acid(PA) and the linear Stern-Volmer plot was observed in the concentration range of 0.05–0.15 mM with K_(sv) of 98074 M~(-1). As far as we know, this Ksv is among the highest values for COFs and MOFs in detection of PA. The excellent anti-interference ability and repeatability were also verified by experiments. Lastly, we investigated the luminescence quenching mechanism in the EuL sensing system.     

Ionic liquid assisted synthesis of flowerlike Cu2O micro-nanocrystals

Novel flowerlike Cu2O micro-nanocrystals were prepared by a greener reductive reaction of cupric acetate monohydrate with ethylene glycol in aqueous solutions of [C8mim]X (X = Cl , Br , BF4 , PF6 ) and [Cnmim][BF4] (n = 4, 6, 8). The obtained microstructures of Cu2O were characterized by Scanning Electron Microscopy (SEM), X-ray diffraction (XRD) and Fourier Transform Infrared (FT-IR). The effects of cations, anions and concentration of the ionic liquids on the morphology of Cu2O were examined in some details. The results suggest that the formation of flowerlike Cu2O was governed by a [C8mim][BF4] controlled reductive reaction mechanism. As one of their applications, the Cu2O nanoparticles were used for the photocatalytic degradation of methylene blue in aqueous solution, and high photocatalytic activity was observed.     

Synthesis and Characterization of Organoboryl Germanium (Ⅱ) Oxides Containing Ge-O-B and Ge-O-B-O-Ge Cores

Organoboryl germanium(Ⅱ) oxides were synthesized from the 1,4-addition reaction of L'Ge(L'=HC[C(CH_2)N(Ar)]C(Me)N(Ar),Ar=2,6-iPr_2C_6H_3) with selected monosubstituted arylboronic acids RB(OH)_2(R=2,6-Me_2C_6H_3,2,4,6-Me_3C_6H_2,1-Naph) at the molar ratios of 1:1 and 2:1.The mononuclear products RB(OH)OGeL(L=CH[C(Me)N(Ar)]_2,Ar=2,6-iPr_2C_6H_3;R=2,6-Me_2C_6H_3(1),2,4,6-Me_3C_6H_2(2),1-Naph(3)) containing the Ge-O-B core were obtained smoothly through the 1:1 reaction.However,the reaction of L'Ge with 2,6-Me_2C_6H_3B(OH)_2 in a 2:1 ratio gave only the mononuclear product(1) instead of the expected binuclear one.What's more,a new borate compound [(2,6-Me_2C_6H_3)_4B_5O_6]~-[H:C]~+(4)(:C=C[N(iPr)C(Me)]_2) was concomitantly formed when the in situ prepared L'Ge was used as the precursor.In contrast,the use of 2,4,6-Me_3C_6H_2B(OH)_2 or1-NaphB(OH)_2 as the organoboryl source in the similar reaction led to the formation and isolation of the binuclear products RB(OGeL)2(R=2,4,6-Me_3C_6H_2(5),1-Naph(6)) containing the Ge-O-B-O-Ge core in a straight way.Compounds 1~6 were determined by single-crystal X-ray diffraction analysis.     

3-（Diphenylphosphino）propanoic acid： An efficient ligand for the Cu-catalyzed N-arylation of imidazoles and 1H-pyrazole with aryl halides

3-(Diphenylphosphino)propanoic acid(L2) has proved to be an efficient ligand for the copper-catalyzed C–N coupling reactions.N-arylation of imidazoles with aryl iodides catalyzed by CuCl/L2 was smoothly carried out in DMSO at 100 8C with a yield up to 98%.N-arylation of 1H-pyrazole with aryl iodides and bromides catalyzed by Cu(OAc)2/L2 in 1 4-dioxane also gave the corresponding products with yields of40%–98%.     

A 2D Layer Copper(Ⅱ) Coordination Polymer with 3-Nitrophthalic Acid: Synthesis,Crystal Structure and Copper 3-Nitrophthalate Metal-organic Framework-graphene Oxide Nanocomposite

A 2D layer Cu(Ⅱ) coordination polymer [Cu(npth)(H_2O)]n(1) was crystallized from a mixture of 3-nitrophthalic acid and Cu(OAc)_2·H_2O in water under room temperature and structurally characterized by single-crystal X-ray diffraction, FT-IR and TGA. Compound 1 was applied to make a nanocomposite with graphene oxide(GO). A highly dispersible and stable nanocomposite of Cu(npth)-GO was successfully synthesized by a simple ultrasonication method. SEM, TEM, UV-vis, FT-IR and TGA were used to characterize the morphology and structure of the prepared composite. In accordance with the characterization results, we suspected that the binding mechanism of Cu(npth) and GO was assigned to be the cooperative interaction of Cu–O coordination, π-π stacking and hydrogen bonding.     

Colorimetric detection of D-amino acids based on anti-aggregation of gold nanoparticles

A new method has been proposed to realize the visual detection of D-amino acids(DAAs) via the antiaggregation of 4-mercaptobenzoic acid modified gold nanoparticles(AuNPs) in the presence of D-amino acid oxidase(DAAO). The negatively charged AuNPs were prepared using sodium citrate as a reducer and stabilizer. The presence of 4-mercaptobenzoic acid(4-MBA) and Cu2+induces the aggregation of AuNPs,resulting in a color change from ruby red to royal purple. However, DAAO could oxidize DAAs to generate H2O2. In the presence of H2O2, the mercapto(–SH) group in 4-mercaptobenzoic acid can be oxidized to form a disulfide(–S–S–) bond. Based on these facts, the pre-incubation of DAAs and 4-mercaptobenzoic acid with DAAO would significantly reduce the concentration of free 4-mercaptobenzoic acid molecules,thus the aggregation of AuNPs was interrupted since due to the lack of inducer. As the concentration of DAAs increases, the color of the AuNPs solution would progress from royal purple to ruby red.Consequently, DAAs could be monitored by the colorimetric response of AuNPs using a UV–vis spectrophotometer or even naked eyes. This DAAO mediated visual detection method could determine Dalanine(D-Ala) as a representative DAA with concentrations ranging from 1.5×10~(-7)mol L~(-1) to 3.0×10~(-5)mol L~(-1), and the detection limit was as low as 7.5×10~(-8)mol L~(-1). The proposed method is convenient, low-cost and free of complex equipment, making it feasible to analyze the concentration of D-Ala in real samples of b-amyloid peptide(Aβ1–42).     

A highly stable and luminescent mononuclear Cu(Ⅰ) bis-{5-tert-butyl-3-(6-methyl-2-pyridyl)-1H-1,2,4-triazole} complex

A new emissive mononuclear homoleptic Cu(Ⅰ) complex of 5-rert-butyl-3-(6-methyl-2-pyridyl)-1H-1,2,4-triazole(bmptzH),[Cu(bmptzH)_2](ClO_4)(1),has been synthesized by treatment of[Cu(PPh_3)_2(CH_3CN)_2](ClO_4) or [Cu(CH_3CN)_4](ClO_4) with the bmptzH ligand.It is revealed that complex 1 displays a distorted N_4 tetrahedral arrangement formed by two bmptzH chelates,in which bmptzH adopts a neutral bidentate chelating coordination mode using the N atom of the pyridyl ring and the 4-N not 2-N atom of the 1,2,4-triazolyl ring.It is shown that complex 1 is highly stable and exhibits good luminescence properties in solution and solid states at room temperature due to the introduction of a methyl group at the ortho-position of the pyridyl ring.     

Synthesis, Crystal Structure and DNA Binding Studies of a Nickel（II） Complex with 2-Aminomethylbenzimidazole and Demethylcantharate

A new mixed-ligand nickel(Ⅱ) complex, [Ni(L)(DCA)(H2O)]·2H2O (L = C8H9N3, 2-aminomethyl-benzimidazole, DCA2- = 7-oxabicyclo[2,2,1]heptane-2,3-dicarboxylate, demethylcantharate, C8H8O5), has been synthesized and characterized. The structure of the complex was determined by single-crystal X-ray diffraction. It is of monoclinic system, space group P21/c with a = 7.7211(7), b = 12.0799(12), c = 19.7867(19), β = 100.390(6)°, V = 1815.2(3) nm3, Dc = 1.625 g·cm-3, Ζ = 4, F(000) = 928, R = 0.0314 and wR = 0.0822. In addition, the interaction between the complex and DNA was studied by means of fluorescence spectra and viscosity. The results indicate that the complex binds to DNA by the mode of partial intercalation with the Stern-Volmer constants Ksv of 3.81 × 104 mol·L-1.     

Investigation of L/D-threonine substituted L-serine octamer ions by mass spectrometry and infrared photodissociation spectroscopy

Threonine-substituted serine octamer ions were generated by electrospray ionization(ESI) and investigated by mass spectrometry and infrared photodissociation(IRPD) spectroscopy. IRPD spectra of[L-Ser_7+ L/D-Thr_1]H~+and [L-Ser_6+ L/D-Thr_2]H~+were obtained in the range of 2700–3600 cm~(-1). Chiral differentiation was achieved by comparing their IRPD spectra. The main difference located in the range of 3300–3500 cm~(-1). And the results indicate the substitution of L-Ser by D-Thr could weaken the intermolecular H-bonds and loosen the original structures of serine octamers.     

Binuclear Aluminum Complexes Supported by Linked Bis(β-diketiminate) Ligands for Ring-Opening Polymerization of Cyclic Esters

Binuclear aluminum alkyl complexes 2a–4g supported by linked bis(β-diketiminate) ligands were synthesized via the reaction of AlEt_3 or AlMe_3 and the corresponding proligand in a 2:1 molar ratio with moderate yields. The isolated complexes were well-characterized by ~1H-NMR, ~(13)C-NMR and elemental analysis. The binuclear nature of aluminum complex 2b was further confirmed by an X-ray diffraction study. All complexes 2a–4g could efficiently initiate the ring-opening polymerization(ROP) of ε-caprolactone in toluene. The substituents at the aromatic rings and the linker unit in the auxiliary ligands exerted significant influence on the catalytic behavior of the investigated aluminum complexes. Complex 4g(R~1 = R~2 = Cl) containing propylenyl bridging unit exhibited the highest catalytic activity among these complexes, which might be attributed to the increased electrophilicity of the metal center as well as more opened coordination sphere. The molecular weights of obtained poly(ε-caprolactone)s deviating considerably from the theoretical values indicated that the ROP of ε-caprolactone by complexes 2a–4g was not well-controlled, which was also judged from the broad molecular weight distributions(MWD = 1.47-2.47) of produced poly(ε-caprolactone)s. These complexes proved to be inactive toward the polymerization of rac-lactide alone. In the presence of alcohol the polymerization occurred, which was actually initiated by the decomposition species of the aluminum complex upon the treatment with isopropanol.     

Synthesis and Structural Characterization of N,N-disubstituted Acylguanidines

A series of five N,N-disubstituted acylguanidines R~1C(O)N=C[N(H)R~2]NR_2~3(R~1=Mes or Ph; R~2=Ar??or Ar?; R~3=Cy, Bn, iPr, or Et)(Mes=2,4,6-Me_3C_6H_2, Ar??=2,6-iPr_2C_6H_3, Ar?=2,6-Me_2C_6H_3) was synthesized from the reactions of parent acylthioureas with respective secondary amines. According to structutral characterization by single-crystal X-ray diffraction, the rough reduction of the steric hindrance of R substitutents of R~1 C(O)N=C[N(H)R~2]NR_2~3(also abbreviated as R~1-R~2-R~3 for comparison purposes) led to the slight enlongation of N(1)–C(1) bond lengthes and small decrease of N(1)–C(1)–N(3) bond angles from Mes–Ar??–Cy(1) to Ph–Ar??–Bn(2), Ph–Ar??–iPr(3) and Ph–Ar?–Cy(4). At the same time, the N(1)–H(1)···O(1) intramolecular hydrogen bonds were observed in these cases. When R~3=Et, an interesting compound Ph-Ar?-Et(5) was obtained with the formation of intermolecular hydrogen bonds instead. 1 belongs to the monoclinic system, space group P2_(1/n) with a=9.6488(3), b=28.5318(8), c=11.9155(3) ?, b=91.439(2)o, V=3279.27(16) ?~3, and Z=4. 2 belongs to the triclinic system, space group P1 with a=9.6759(7), b=10.8613(8), c=15.7642(12) ?, a=70.429(3), b=79.257(4), g=69.052(4)o, V=1453.63(19) ?~3 and Z=2. 3 belongs to the monoclinic system, space group P2_(1/c) with a=11.1393(4), b=13.0643(4), c=17.6600(6) ?, b=101.866(2)o, V=2515.09(15) ?~3 and Z=4. 4 belongs to the monoclinic system, space group C2/c with a=17.8466(3), b=13.6126(2), c=21.6710(4) ?, b=90.7310(10)o, V=4992.72(14) ?~3 and Z=8. 5 is of orthorhombic system, space group P2_12_12_1 with a=10.5555(2), b=11.8913(2), c=14.9558(4) ?, V=1877.23(5) ?~3 and Z=4.     

Crescent aromatic oligothioamides as highly selective receptors for copper(Ⅱ) ion

A series of crescent aromatic oligothioamides(4, 6, 8, 15, and 18) bearing different number of sulfur atoms were designed and synthesized via thionation of their corresponding aromatic oligoamides(3, 5, and 7) using Lawesson's reagent. The X-ray structure of a trimeric analogue(13) revealed the presence of intramolecular three-center hydrogen bonds that are responsible for the rigidification of the molecular backbone. The extraction by these novel receptors toward some representative heavy metal cations(Zn2+, Cd2+, Co2+, Ni2+, Pb2+, and Cu2+) and alkali and alkaline earth metal cations(Li+, Na+, K+, Rb+, Cs+, Ca2+, and Sr2+) demonstrated high efficiency(83.5%–96.4%) and superior selectivity for Cu2+ over other selected metal cations. Particularly, the extractability was correlated to both the number of sulfur atoms and orientation of thiocarbonyl groups as revealed in the order: 6 4 18 15. This is in stark contrast to the oligoamides that only gave much lower extractability(5.9%–16.4%), suggestive of the importance of replacement of carbonyl oxygen atoms with sulfur atoms in the extraction of Cu2+. The complexation behavior of 4, 6, and 8 with Cu2+ was also examined by UV-Vis and NMR techniques.     

SYNTHESIS,CHARACTERIZATION AND PHOTOLUMINESCENT PROPERTIES OF NEW PLATINUM-CONTAINING POLY(FLUORENYLENEETHYNYLENE) ANCHORED WITH CARBAZOLE PENDANTS

A new luminescent and thermally stable platinum(Ⅱ) polyyne polymer trans-[-Pt(PBu_3)_2C=CArC=C-]_n(P1) containing the 2,7-fluorene chromophoric spacer substituted by pendant carbazolyl group via long alkyl bridges. The regiochemical structures of these compounds were studied by various spectroscopic analyses.We report the photophysical properties of this group 10 polymetallayne and a comparison was made to its binuclear model complex trans-[Pt(Ph)(PEt_3)_2C≡CArC≡CPt(Ph)(PEt_3)_2](M1) as well as to those ...     

Trimer formation of 6-methyl-1,3,5-triazine-2,4-diamine in salt with organic and inorganic acids:analysis of supramolecular architecture

Although the numbers of co-crystals,salts,polymorphs,hydrates,and solvates are growing steadily,trimers that contain both inorganic and organic acids are still very rare in the Cambridge Structural Database(CSD).When 3,5-dihydroxybenzoic acid was crystallized readily with 6-methyl-1,3,5-triazine-2,4-diamine in a 4:3 ratio of ethanol and water by adding a few drops of nitric acid upon slow evaporation in ambient conditions,6-methyl-1,3,5-triazine-2,4-diamine and 3,5-dihydroxybenzoic acid with the nitric acid form of 1:1:1 an inorganic-organic salt formulated as[(C4H8N5+)·(NO3-)·(C7H6O4)].The supramolecular architecture,which is quite elegant and simple,appeared as stacking of a 3D network in adduct.Proton transfer from the HNO3to 6-methyl-1,3,5-triazine-2,4-diamine N acceptor(triazine N)occurred in the organic salt and led to the ionic heterosynthon in the structure.Cooperation among the–COOH,–OH,NO3–,and–NH–functional groups for the observed hydrogen bond synthon was examined in the structure.In adduct,recognition among the constituents is established through N–H···O,O–H···N,and O–H···O hydrogen bonds.The agomelatine molecules are linked through the intermolecular hydrogen bonding interactions(O–H···O)to form a 1D chain.In addition,the nitric acid anions and base cations act as donors and acceptors of hydrogen bonds and interlink,almost to co-planarity,the hydrogen-bonded chains through interchain N–H···O,O–H···N,as well as O–H···O interactions into a 2D sheet structure.Persistent N–H···O interactions were found to play an important role in the formation of the final 3D array.The salt was characterized by elemental analysis,IR,thermogravimetric analysis,and singlecrystal X-ray diffraction,to better understand how intermolecular interactions influence its supramolecular assembly.     

Synthesis of Mesoporous Lanthanum Phosphate and Its Use as a Novel Sorbent

Mesoporous lanthanum phosphate was synthesized by supramolecular self-assembly of cetyltrimethylammo-nium bromide and lanthanum nitrate following digestion in phosphoric acid.TGA-DTA,XRD and SEM were em-ployed to study the uncalcined and calcined materials.Sorption behavior of Cr(Ⅲ),Mn(Ⅱ),Fe(Ⅲ),Co(Ⅱ),Ni(Ⅱ),Cu(Ⅱ),Zn(Ⅱ),Cd(Ⅱ),Ba(Ⅱ),Hg(Ⅱ)and Pb(Ⅱ)cations was studied on such materials in water,3 mol·L~(-1)ammonia,0.01 mol.L~(-1)potassium ferrocyanide and 0.01 mol·L~(-1)potassium ferricyanide solutions.     

SYNTHESIS AND CRYSTAL STRUCTURE OF A MOLYBDENUM-COPPER-SULFUR CLUSTER COMPLEX WITH DITHIOBENZOATE LIGAND [Bu_4N]_2[MoCu_2S_4(C_6H_5CS_2)_2]

<正> The title compound has been synthesized by the reaction of (Bu4N)2MoS4, CuCl and (C6H5CS2)(Bu4N) in DMF and recrystallized from DMF/ Et2O. The red black crystal belongs to the triclinic space group P1 with a = 12. 021 (6), b = 17.045(8), c=17. 136(7)(?) , α=110.05(3), β=108.64(4), γ=103.87 (4)°, V = 2873(3)(?)3, Dc=1. 321gcm-3, Z = 2. The structure was refined to R = 0. 065 for .4783 reflections. The anion of the title compound can be described as a MoS42- tetrahedron coordinated by two [Cu(C6H5CS2)] units with the three metal atoms lying on a line. The coordination number of each Cu atom is three.     

Morphology and Phase Composition ofGelatin-Starch Blends简

Morphology and phase compositions of different starch-gelatin blends were investigated by various microscopes: optical, SEM and synchrotron FTIR microscopy. A high amylose(80%) corn starch, grafted with hydroxypropyl to enhance flexibilty and hydrophilicity, and plasticized by poly(ethylene glycol)(PEG), was used in this work. SEM revealed that the surface became smoother after adding PEG. Optical microscopy observation revealed that compatibility between gelatin and starch was improved by adding PEG. An FTIR beam focused on a 5 μm× 5 μm detection area by the micro-spectroscope was used to map chemical composition. The ratio of areas of the saccharide bands(1180–953 cm 1) and the amide I and II bands(1750–1483 cm 1) was used to monitor the relative distributions of the two components in the blends. The FTIR maps indicated that gelatin constituted the continuous phase up to 80% of starch content. All of the FTIR spectra showed contributions from both starch and gelatin absorptions, therefore indicating that complete demixing with pure starch and gelatin domains did not occur. The PEG improved the compatibility of the gelatin-starch blends.     

Reactions of [Et_3NH][(μ-CO)(μ-RS)Fe_2(CO)_6] with acetylenes.Synthesis of(μ-σ,π-p-MeC_6H_4C=CHPh)(M-RS)Fe_2(CO)_6 and (μ-σ,π-PhC=CHC_6H_4Me-p)(μ-RS)Fe_2(CO)_6 The crystal structure of (μ-σ,π-p-MeC_6H_4C=CHPh)(μ-tBuS)Fe_2(CO)_6

The reactions of [Bt3NH][μ-CO)(μ-RS)Fe2(CO)6] (1a-d) (R=nPr,nBu,tBu, Ph) with p-MeC6H4C=CPh or m-NO2C6H4C=CPh were studied and products of the vinyl type (μ-σ,π-p-MeC6H4C=CHPh)(μ-RS)Fe2(CO)6 (2) and (μ-σ,π-phC=CHC6H4Me-p) (μ-RS)Fe2(CO)6 (3) (R=nPr, nBu, tBu, Ph) were obtained. While the structures of all the compounds 2a-d and 3a-d were characterized by elemental analysis, IR,1H NMR and MS spectroscopies, the single-crystal structure of 2c(R=tBu) was determined by X-ray diffraction method. The X-ray dim-action result of 2c showed that the substituted vinyl ligand p-MeC6H4C=CHPh bridges the two uon centers, being σ-bonded to one metal through the olefinic carbon attached to p-MeC6H44 group, while π-bonded to the other via olefinic linkage; the Fe2(CO)6 and proton units are in a cis fashion and the tBu group is bonded to sulfur atom through an e-type of bond.