bluuebunny/crossref_metadata_2025_split huggingface dataset:
Study on electrode process of myoglobin at a polymerized Toluidine Blue film electrode
Authors: Dong Shao‐Jun , Chu Qing‐Hui 
Published: September 2010

AbstractThis paper reports the use of an electrochemically polymerized Toluidine Blue (TB) film electrode. The film on platinum electrode surface was analyzed with ESCA. The heterogeneous electron transfer processes of myoglobin at the polymerized TB film electrode have been investigated using in situ UV‐visible spectroelectrochemistry. The formal potential (E°') and electron transfer number (n) of myoglobin were calculated as E°' = 0.045 V (vs. NHE) and n = 0.99. The exhaustive reduction and oxidation electrolyses are achieved in 130 s and 110 s respectively, during a potential step between −0.4 V and +0.4V. A formal heterogeneous electron transfer rate constant (Kah) of 1.09 × 10−4 cm/s and a transfer coefficient (α) of 0.47 were obtained by cyclic voltabsorptometry, which indicated that myoglobin underwent a quasi‐reversible electrode process at the polymerized TB film electrode.
Studies on solid state reactions of coordination compounds. XLVII. Solid state syntheses and crystal structures of cluster compounds {Cu3MoS3I} (PPh3)3S and {Cu3WS3Br} (PPh3)3S
Authors: Lang Jian‐Ping , Zhu Hui‐Zhen , Xin Xin‐Quan , Chen Ming‐Qin , Liu Kun , Zheng Pei‐Ju 
Published: September 2010

AbstractReactions of [NH4]2[MS4](M = Mo,W), CuX(X = Br, I) and PPh3 in the solid state produced four mixed‐metal sulfur containing clusters {Cu3MS3X}(PPh3)3S(M = Mo, W; X = Br, I), two of which (1: M = Mo, X = I; 2: M = W, X = Br) were structurally determined. Crystals of 1 and 2 are triclinic, space group P1 (1: a = 11.895(3), b = 13.107(1), c = 20.473(2)Å, α = 74.95(6), β = 84.87(8), γ = 64.27(7)°, Z=2, V=2776.1 Å3, Rw = 0.064 for 6443 observed reflections. 2: a = 11.876 (1), b = 13.065 (2), c = 20.325(2)Å, α = 74.95(1), β= 85.39(1), γ = 64.09(1)°, Z = 2, V = 2737.3Å3, Rw = 0.055 for ·5303 observed reflections). The results of the structure determination showed that the central units of the two cubane‐like cluster compounds are composed of four metal atoms and four non‐metal atoms situated at alternate corners. The differences of cubane‐like cluster compounds obtained from solid state reactions and from solution reactions are discussed.
Synthesis and crystal structure of [V2(μ‐S2)2(S2CNEt2)4] · 2CH3Cl
Authors: Lei Xin‐Jian , Jiang Fei‐Long , Wu Da‐Xu , Hong Mac‐Chun , Huang Zhi‐Ying , Liu Han‐Qin 
Published: September 2010

Abstract[V2(μ‐S2)2(S2CNEt2)4] 2CH3Cl was synthesized by the reaction of NaS2CNEt2, Li2S and VOCl3at room temperature. Crystal data:M= 1061.3, space groupPbca, with the orthorhombic parameters:a=20.123(3),b= 20.485(4)1c=10.911(3)A,V=4497.7Å3,Z=4,Dc=1.57 g/cm3, MoKoradiation (λ=0.71069 Å), μ = 13.2 cm−1,F(000)—2168. FinalR= 0.041 andRw=0.047 for 2288 observed reflections withI>3σ(I). The coordination sphere of each V atom in title compound is a distorted tetragonal prism composed of two bidentate dithiocarbamate and two S21−ligands. The V—V distance is 2.890 Å while the V—S distances fall in the range of 2.422–2.505 Å.
Synthesis and spectral properties of arylmercury derivatives of α‐thiopicolinanilide
Authors: Song Mao‐Ping , Wu Yang‐Jie , Yang Li , Chen Ji‐Hong 
Published: September 2010

AbstractA series of thirteen arylmercury derivatives of α‐thiopicolinanilide have been synthesized and characterized by elemental analysis, IR, 1H NMR and MS. The intramolecular coordination and the substituent effects on the MS and 199Hg NMR behaviours have been studied. It has been shown that a linear correlation exists between the 199Hg chemical shifts and the Hammett‐Brown constants σ+, and the electron‐donating groups cause the chemical shift to move upfield.
Analysis of the linkage positions and isomers of monosaccharide units in oligosaccharides by negativ secondary ion mass spectrometry in combination with the stereoselective reaction with substituted boronic acid
Authors: Yan Lin , Fang Yi‐Wei 
Published: September 2010

AbstractThe negative secondary ion mass spectrometry, in combination with the stereoselective derivatizations with substituted boronic acid RB(OH)2, was used in the analysis of fourteen oligosaccharides. The mass spectra of the derivatives provide information on their linkage positions and isomerism of the individual monosacaccharide units. The results indicated that among the derivatives of the oligosaccharides analyzed, those with 1–4 and 1–6 linkages all presented the ion peaks at m/z 287, sometimes one more peak at m/z 449. Furthermore, a relationship was found between the linkage positions and the intensity orders of the derivative ions. Finally, the derivatives of the disaccharides with a galactose presented an intense ion peak at m/z 347, and those of oligosaccharides with 1–6 linkage to a galactose at terminal presented the ion at m/z 317. In the case of oligosaccharides with a fructose residue, characteristic ion of m/z 155 was produced. The conditions of stereoselective derivatizations and mass spectrometry were studied, in order to obtain a better reproducibility of the mass spectra.
Palladium(0) catalyzed reactions of propargylic carbonates and dialkyl cycloalkanone‐α,α‐dicarboxylates
Authors: Geng Li‐Feng , Lu Xi‐Yan 
Published: September 2010

AbstractPropargylic carbonates reacted with dialkyl cycloalkanone‐α,α′‐dicarboxylates under the catalysis of Pd(0) complex to give bicyclic compounds in high yields. The two electron‐withdrawing groups at α and α' positions of cycloalkanone rings are essential for the annulation reaction.
Study of the vibrational photochemical reation, of UF6+HCl and its isotopic selectivity
Authors: Xu Bao‐Yu , Liu Yong , Dong Wen‐Bo , Zhao Wei , Hu Jian‐Xun , Zheng Cheng‐Fa 
Published: September 2010

AbstractThe photochemical vibrational reaction of UF6+HCl was investigated by exciting the ternary overtone of 3V3 of UF6 in an intracavity CO laser system. It was found that the rate of the laser‐driven reaction was much greater than that of the thermal reaction and this photochemical process had an isotopic selectivity. The uranium isotope enrichment factors measured in experiments were around 1,007 in a single step.
The TST‐CEQ calculations on the light‐heavy‐light H+ClH reaction
Authors: Ju Guan‐Zhi , Bian Wen‐Sheng 
Published: September 2010

AbstractThe calculated TST‐CEQ state‐selected reaction cross sections and rate constants for the exchange reaction of H+ClH are reported. It is found that, although the collinear probabilities exhibit the oscillating behaviour, the TST‐CEQ cross sections do not oscillate. Comparison of the different state‐selected cross sections at a constant total energy indicates that translational energy is more effective than vibrational energy in promoting the reaction H + ClH. We also find that, the larger the vibrational quantum number of the reactant, the larger the reactive rate constant kTST‐CEQ(T, v) is at a given temperature. The state‐selected rate constants are then averaged to yield the thermal rate constants which are shown to be in good agreement with our VTST calculations and those by Schwenke et al.,
Studies on solid state reactions of coordination compounds. LI. Solid state syntheses of a family of Ag‐Mo(W)‐S cubane‐like cluster compounds: Crystal structures of {Ag3MoS3I](PPh3)3S and {Ag3WS3Cl}(PPh3)3S·0.5P(S)Ph3·3H2O
Authors: Lang Jian‐Ping , Bao Shi‐An , Zhu Hui‐Zhen , Xin Xin‐Quan , Yu Kai‐Bei 
Published: September 2010

AbstractReactions of [NH4]2[MS4] (M = Mo, W), AgX (X = Cl, Br, I, ON, SCN) and PPh3 in the solid state produced six new mixed‐metal sulfur containing cluster compounds, two of which, {Ag3MoS3I}(PPh3)3S(1) and {Ag3WS3Cl}(PPh3)3S·0.5P(S)Ph3·3H2O(2), were determined by single crystal X‐ray analysis. The crystal data: 1, triclinic, P&1bar;, a=12.114(2), b=13.420(2), c=20.346(3)Å, a=74.53(1), βequals;86.73(1), γequals;63.74(1)*, Z=2, R = 0.043 for 4805 independent data, 2, hexagonal, R3, a=b=16.201(3), c=45.091(10)Å, Z=6, R = 0.042 for 2729 independent data. The central unit {Ag3MS3X} (M = Mo, W; X = Cl, I) of the two compounds can be described as a slightly distorted cube, four corners being formed by the MS42− ligand (with a terminal S atom). The remaining corners are occupied by one X (Cl or I) atom and three Ag atoms (with one PPh3 ligand bound to each of the latter). The generation of different types of Ag‐Mo(W)‐S cluster compounds prepared from solid state reactions under different reaction temperatures is discussed.
A bi‐butterfly W‐Cu‐S cluster compound: Synthesis and crystal structure of (n‐Bu4N)2[W2Cu4S8(S2CNC4H8)2]
Authors: Lei Xin‐Jian , Cao Rong , Hong Mao‐Chun , Huang Zhi‐Ying , Liu Han‐Qin 
Published: September 2010

AbstractThe compound (n‐Bu4N)2[W2Cu4S8(S2CNC4H8)2] was obtained by the reaction of Bu4NBr, (NH4)2WS4, NaS2NCC4H8 and CuCl in CH3CN and CH3OH. It crystallizes in the monoclinic space group P21/c with unit cell parameters: a=21.875(5), b=16.843(4), c=17.745(5)Å, β = 101.69(6)°, V=6402(6)Å3, Z=4, Dc=1.718 g·cm−3. The final R and Rw values converged to 0.055 and 0.060 respectively. The structure consists of two ‘butterfly’ units [WS4Cu2] linked together by two weak Cu—S bonds and two bridging S2CNC4H8 ligands. Infrared spectra gave characteristic absorptions at 495 cm−1 for W=S and 450, 435, 412 cm−1 for W—μ‐S.
Nitrosyl Complexes. 6. Reactions of Na[Fe(CO)3NO] with Cp*M(CO)3Cl (Cp*=η5−CH3C5H4, M = Mo or W): Crystal structures of Cp*M(CO)2NO and Cp*M(μ3‐NH)(μ2‐NO)(μ2‐CO)Fe2(CO)6
Authors: Sun Wen‐Hua , Yang Shi‐Yan , Yin Yuan‐Qi , Wang Han‐Qing , Yu Kai‐Bei 
Published: September 2010

AbstractSodium nitrosylcarbonyliron reacts with methylcyclopentadienylcarbonylmetal (Mo or W) chloride in CH3OH/THF at room temperature to give Cp*Mo(CO)2NO(la) (Cp* = η5−CH3C5H4) or Cp*W(CO)2NO (1b), [Cp*Mo(CO)3]2 (2a) or [Cp*W(CO)3]2 (2b), and Cp*Mo(μ3‐NH)(μ2‐NO)‐(μ2‐CO)Fe2(CO)6 (3a) or Cp*W(μ3‐NH)(μ2‐NO)(μ2‐CO)Fe2(CO)6 (3b), respectively. Complexes 1a, 1b, 3a and 3b were analyzed by IB, NMR, MS and elemental analyses, and the crystal structures of 1b, 3a and 3b were determined by X‐ray diffraction method. The new clusters 3a and 3b have μ3‐NH ligands which were formed by reduction of NO in the synthetic reactions.
Regioselective synthesis of linalyl compounds via addition reaction of geranyl bromide and tin with carbonyl compounds
Authors: Zhou Jing‐Yao , Lu Guo‐Di , Chen Zhao‐Gen , Wu Shi‐Hui 
Published: September 2010

AbstractLinalyl alkyl or aryl carbinols were regioselectively synthesized by the reaction of geranyl bromide and powdered tin with aldehydes and ketones.
Studies on sulfinatodehalogenation. XXVIII. The addition of polyfluoroalkyl iodides to olefins initiated by sodium disulfite
Authors: Huang Bing‐Nan , Wu Fan‐Hong 
Published: September 2010

AbstractPolyfluoroalkyl iodides reacted with olefins in aqueous DMF solution of sodium disulfite under mild conditions to give the corresponding 1:1 adducts in good yields, providing a convenient polyfluoroalkylation method. This indicated that RF. radicals were formed in the reaction of polyfluoroalkyl iodides and sodium disulfite. A SET mechanism is proposed for the sulfinatodehalogenation reaction of sodium disulfite.
Studies on nitramide and its methyl derivatives with ab initio calculations. IV. The harmonic force field and vibrational spectra of dimethylnitramine and its isotopic derivatives
Authors: Wang Wen‐Ning , Fan Kang‐Nian , Li Yong‐Fu , Xiao He‐Ming 
Published: September 2010

AbstractThe complete harmonic vibrational force field of dimethylnitramine has been calculated at the Hartree‐Fock level using 4–21G basis set. The harmonic force field was then scaled with scale factors previously derived from N‐methylnitramine, and the vibrational spectrum of dimethylnitramine was computed. This a priori prediction, made with no reference to observations on dimethylnitramine, agrees with the experimental IR spectrum in gas phase with a mean deviation of 8.4 cm−1. Some of the scale factors were reoptimized by fitting of the computed force field to experimental data. The new set of scale factors reduced the mean deviation to 4.5 cm−1, and was used to predict the vibrational spectrum of deuterated form of dimethylnitramine(‐6D). Dipole moment derivatives were also calculated and used to predict infrared intensities which are comparable with experimental values.
Standard potential of the Ag‐AgCl electrode and acidity constant of glycine at constant molality of NaCl in glucose‐water mixed solvents from 278.15 to 318.15 K
Authors: Wang Jie , Yang Jia‐Zhen 
Published: September 2010

AbstractStandard electrode potentials Ec of Ag‐AgCl electrode in molality scale and acidity constants of glycine pK01 at constant molality of NaCl (1.0 mol·kg−1) in 5 and 15 mass% glucose‐water mixed solvents over a range of temperatures from 278.15 to 318.15 K were determined from precise emf measurements. The dependence of acidity constant on temperature is given as a function of the thermodynamic temperature T by an empirical equation. pK01 = A1(K/T) ‐ A2 + A3(T/K). The corresponding thermodynamic quantities of the first dissociation process of glycine were calculated and the effects of both the solvent and the salt on them were also discussed.
Theoretical studies on the substitution effect of fluorine on ethylene
Authors: Li Qing‐Ming , Fu Xiao‐Yuan , Zhang Jing‐Chang , Cao Wei‐Liang 
Published: September 2010

AbstractThe substitution effect of fluorine on ethylene is investigated by means of studying the properties of the charge distribution at the bond critical points with the theory of atoms in molecules. It is found that fluorine atom acts not only as a σ electron acceptor, but also as σ electron donor, and these double effects are reflected in the quantity of ellipticity, Laplacian and the charge density of charge distribution at the bond critical points. For C—C, C—F bonds, the major axis of elliptical contours is perpendicular to the molecular plane, but for C—H bond, it is parallel to the molecular plane. Other effects originating from the substitution have also been discussed.
Studies on the solid state reactions of coordination conpounds. XLVIII. The effect of KSCN on the thermal decomposition of cobalt(III)‐ammine complexes
Authors: Zheng Li‐Min , Xin Xin‐Quan 
Published: September 2010

AbstractThe evolved gaseous analysis (EGA), infrared spectra, and XRD have been applied to the study of solid state reactions of KSCN with five cobalt(II)‐ammine complexes: [Co‐(NH3)5N3]Cl2. [Co(NH3)5(NO2)]Cl2. [Co(NH3)5(H2O)]Cl3. [Co(NH3)5Cl]Cl2, and [Co(NH3)6]Cl3 in a hydrogen atmosphere. It is found that the existence of KSCN shifts the thermal decomposition of these complexes to a lower temperature. The corresponding peak temperatures are near 140°C. The effect of KSCN is discussed and kinetic parameters of deammine reactions are calculated.
A facile pathway to 2‐furfurylketones
Authors: Li Nan‐Sheng , Deng Min‐Zhi , He Wen‐Kai 
Published: September 2010

Abstract2‐(Chloromethyl)furan as an electrophile reacted with lithium trialkylalkynylborates, followed by the oxidation with H2O2under basic condition to afford 2‐furfurylketones in good yields. This provides a new method for the preparation of 2‐furfurylketones.
Perfluoroalkylation of aromatics
Authors: Huang Wei‐Yuan , Ying Wei‐Wen , Zhang Han‐Zhong , Liu Jin‐Tao 
Published: September 2010

AbstractSeveral methods for the perfluoroalkylation of aromatics were reported. Both perfluoroalkanesulfonyl bromide/BPO and perfluoroalkanesulfinate/oxidant, systems were efficient reagents for the introduction of a perfluoroalkyl group onto various aromatic nuclei. In a two‐phase solvent system with tetraalkylammonium salt as PTC, reaction of perfluoroalkyl iodide and aromatics in the presence of sodium dithionite gave perfluoroalkyl aromatics and/or addition‐dimerization products.
Optimization of the separation of a mixture of unknown composition by reversed‐phase HPLC
Authors: Wang Qin‐Sun , Gao Ru‐Yu , Zhan Zhuang‐Ping 
Published: September 2010

AbstractA method is presented for the computer‐assisted optimization of mobile phase selection for the separation of a synthetic intermediate of unknown composition by reversed‐phase HPLC. The method is based on recognition of the order of the peaks by comparison of peak area ratio and followed by the BSOS‐L (Binary Solvent Optimization System for HPLC) method. Excellent agreement was obtained between predicted data and experimental results.
Cyclization of 2‐methoxy‐6‐( substituted benzyloxy) acetophenone hydrazones in the presence of polyphosphoric acid (PPA)
Authors: Qiu Yu‐Zhu , Zhang Zheng , Zhong Zken‐Qi , Hu Hong‐Wen 
Published: September 2010

AbstractCyclization of 2‐methoxy‐6‐benzyloxy acetophenone hydrazone gave 3‐methyl‐4‐methoxy indazole and 3‐methyl‐4‐methoxy‐7‐benzyl indazole in the presence of polyphosphoric acid (PPA). The hydrazone was probably converted to 2‐hydroxy‐6‐methoxy acetophenone hydrazone and 2‐hydroxy‐3‐benzyl‐6‐methoxy acetophenone hydrazone followed by cyclization to the corresponding indazoles in acidic conditions. Cyclization of 2‐methoxy‐6‐(halo or alky] or aryl benzyloxy) acetophenone hydrazones gave similar products. Cyclization of 2‐methoxy‐6‐(p‐nitrobenzyloxy) acetophenone hydrazone gave 2‐(p‐nitrophenyl)‐3‐methyl‐4‐methoxy benzofuran and 3‐methy]‐4‐methoxy indazole while 2‐methoxy‐6‐(m‐nitrobenzyloxy) acetophenone hydrazone gave 3‐methyl‐4‐methoxy indazole, 3‐methyl‐4‐methoxy‐7‐(m‐nitrophenyl) indazole and 3‐methyl‐4‐(m‐nitrobenzyloxy) indazole.
Study on potassium bromodifluoroacetate Convenient approaches to the syntheses of trifluoromethylated compounds
Authors: U Heng‐Duo , Duan Jian‐Xing , Su De‐Bao , Chen Qing‐Yun 
Published: September 2010

AbstractTreatment of potassium bromodifluoroacetate (1) with alkyl halides in the presence of copper, iodide and potassium fluoride in DMF at 85–0OTC for 3–5h gavethe trifluoromethylated derivatives in moderate to high yields.
Synthesis and properties of p‐perfluoroalkylcalix[4]arenes
Authors: Huang Wei‐Yuan , Liu Jin‐Tao 
Published: September 2010

Abstractp‐Perfluoroalkylcalix[4]arenes were prepared readily from the reaction of calix‐[4]arene with perfluoroalkyl iodides in the presence of sodium dithionite or sodium hydroxy‐methanesulfinate under mild conditions. These fluorine‐containing calixarenes showed bettor solubilities in common organic solvents as compared to their nonperfluoroalkylation analog and formed inclusion complexes with many neutral molecules as well as fluorocarbons.
Liquid—solid adsorption from binary component mixture
Authors: Geng Xin‐Peng , Geng Xin‐Du 
Published: September 2010

AbstractBased on five thermodynamic equilibria among the components I, II, and adsorbent, a stoichiometric displacement model of adsorption (SDM‐A) from binary liquid mixture with complete range of concentration in liquid‐solid system is proposed and tested by using data published in literatures. The two expressions of this model show the quantitative relationships between the activity of the component I on the surface and that in the bulk solution and between its partition coefficient in two phases and its equilibrium activity in bulk solution, respectively. In some cases, the two expressions may become two linear equations, from which the correspondingly linear slopes (i.e. the adsorption parameters) are obtained with which the stoichiometric displacement relation and relative adsorption ability between components I and II can be elucidated. The effectiveness of these two expressions for different adsorption systems and the similarity and difference between SDM‐A and the Freundlich Empirical Equation are also investigated. A rule illustrating a parallel relationship between 2n/Z and the property of bulk solution is also found. And, having studied the quantitative relation of the adsorption from either ideal or non‐ideal liquid mixture and compaired their linear adsorption parameters, we find that SDM‐A is much better than the Langmuir's.
The structure and magnetic properties of μ3‐oxotriiron(III) complex [Fe3O(OBz)6(CH3OH)3](NO3)(CH3OH)2
Authors: Fu De‐Gang , Wang Guo‐Xiong , Tang Wen‐Xia , Yu Kai‐Bei 
Published: September 2010

AbstractA new μ3‐O triiron(III) complex [Fe3O(OBz)6(CH3OH)3](NO3)(CH3OH)2 (HOBZ = benzoic acid) has been synthesized, its structure has been determined and variable temperature magnetic susceptility has also been measured. In the molecule, three iron atoms formed an equilateral triangle with μ3‐O in center. The fitting to the magnetic susceptibility showed that an intramolecular antiferromagnetic exchange interaction occurred between iron atoms with J=‐25.51 cm−1, and a weaker intermolecular autiferromagnetic exchange interaction occurred with zJ' = −2.30 cm−1.
One‐step synthesis of some polyfluoroalkylated 1,3‐benzodioxoles, 4H‐1,3‐benzodioxins and dibenzo[d, f] [1,3]dioxepins
Authors: Huang Wei‐Yuan , Liu Yan‐Song , Lu Long 
Published: September 2010

AbstractSeveral polyfluoroalkylated heterocyclic compounds containing methylenedioxy group such as 2‐(F‐alkyl) substituted 1,3‐benzodioxole, piperonal, 4H‐1,3‐benzodioxin, 1,3‐dioxolane and 6‐(F‐alkyl) substituted dibenzo[d, f][1,3]dioxepin have been prepared through double Michael‐addition reactions of 2,2‐dihydropolyfluoroalkanoates with the corresponding diphenols or diols in high yields.
A stepwise simulation approach to the chemical potential of fluids
Authors: Wu Xiong‐Wu , Shi Jun , Wang Wen‐Chuan 
Published: September 2010

AbstractA new approach to the computation of the chemical potential of fluids is presented. In this method the particle‐insertion operation in the conventional test particle method is replaced by the growth of a specific particle. Application of the new technique to hard sphere and Lennard‐Jones fluids shows that it is capable of providing reliable estimates of the chemical potential, even at high density where the conventional test particle methods are difficult to apply.
Direct fabrication of conductive LB films composed of N‐docosylpyridinium‐TCNQ
Authors: Yuan Chun‐Wei , Wu Hai‐Ming , Xiao Dong , Wei Yu 
Published: September 2010

AbstractLangmuir‐Blodgett (LB) films of Ar‐docosylpyridinium‐TCNQ (NDP‐TCNQ) were prepared in air. The films deposited at the room temperature showed in‐plane conductivity of 4·10−3 S·cm−1 and its absorption spectra in UV and IR regions resembled those for the films composed of mixed‐valence TCNQ salts of NDP‐(TCNQ)2 rather than for the NDP‐TCNQ LB films preparaed under protection of nitrogen. In the case that the films left in a warm environment after each dipping cycle, the absorption in the corresponding region changed. Spectral analysis and XPS study revealed that more TCNQ molecules were produced. The oxidation of TCNQ: in air was considered to be the origin of neutral TCNQ formed.
Synthesis and characterization of tris(η5‐cyclopentadienyl‐μ‐carbonyliron)‐μ3‐nitrosyl cluster: X‐ray structure of [(η5‐C5H5)(μ‐CO)Fe]3(μ3‐NO)·C4H8O
Authors: Sun Wen‐Hua , Yang Shi‐Yan , Wang Han‐Qing , Yuan Dong‐Feng , Hou Zhi‐Qiang , Chen Yu‐Qing , Yu Kai‐Bei 
Published: September 2010

AbstractTris)(η5‐cyclopentadienyl‐μ‐carbonyl‐iron)‐μ3‐nitrosyl cluster was obtained from the reaction of cyclopentadienyl dicarbonyliron dimer with nitrogen monoxide in xylane. The cluster was characterised by elemental analyses, IR, MS and 1H NMR. The crystal structure of [(η5‐C5H5)(μ‐CO)Fe]3(μ3‐NO)·C4H8O was determined by X‐ray diffraction analysis. It crystallises in the orthorhombic space group Pnma, a=9.063(2), b=10.546(2), c=22.525(4) Å, V=2150.3(7) Å3, Z=4, Dc=1.68 g·cm−3; structure solution and refinement based on 1141 reflections with I ≥ 3.0σ (I) (MoKα, λ=0.71073 Å) converged at R=0.0540. The infrared absorption band at 1325 cm−1 of the μ3‐NO in the cluster, which is red shifted, shows that μ3‐NO is activated.