bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure and Stability of Interstellar Molecule C3S
Authors: Yu Hai‐Tao , Fu Hong‐Gang , Chi Yu‐Juan , Huang Xu‐Ri , Li Ze‐Sheng , Sun Jia‐Zhong 
Published: September 2010

AbstractThe singlet and triplet potential energy surfaces of interstellar molecule C,S are predicted at the UB3LYP/6–311 (d) and UCCSD(T)/6–311 + G(2df) (single‐point) levels. The linear singlet isomer CCCS with 1 Σ + electronic state is found to be thermodynamically and kinetically the most stable species on the singlet surface followed by other four singlet isomers, which are unstable on the basis of calculated results. On the triplet surface, the lowest‐lying species, which lies 248.79 kJ/mol above linear singlet species CCCS, is chain CCCS connectivity with 3A' electronic state. Other four triplet isomers can be considered as unstable species by means of transition state and potential energy surface scan technologies. The structures, vibrational frequencies, dipole moments and rotational constants of all optimized species are also calculated.
Study on the Extraction ofL‐Phenylalanine with Organo‐phosphoric Acid in Two and Three‐phase System
Authors: Zhang Li , Fu Xun , Hu Zheng‐Shui , Li Qiu‐Hong , Xu Ting 
Published: September 2010

AbstractThe extraction behaviors ofL‐phenylalanine by di‐(2,4,4‐trimethylpentyl) phosphinic acid, di‐(2,4,4‐trimethylpentyl)‐monothiophosphinic acid and di‐(2‐ethylhexyl) phosphoric acid were studied in both two‐phase and three‐phase systems respectively. The equilibrium constants for these extraction reactions were calculated.
A Novel Cobalt (III) Mixed‐polypyridyl Complex: Synthesis, Characterization and DNA Binding
Authors: Chen Hui‐Li , Yang Pin 
Published: September 2010

AbstractA novel complex [Co(phen)2HPlP]Cl3[phen= phenanethroline, HPIP=2‐(2‐hydroxyphenyl) imidazo [4,5‐f][l,10]phenanethroline] has been synthesized and structurally characterized by elemental analysis, UV, IR and 1H NMR spectroscopies. The interaction of the complex with calf thymus DNA (CT DNA) has been studied using absorption and emission spectroscopy, DNA melting techniques and cyclic voltammetry. The compound shows absorption hypochromicity, fluorescence enhancement and DNA melting temperature increment when binding to CT DNA. CV measurement shows a shift in reduction potential and a change in peak current with addition of DNA. These results prove mat the compound inserts into DNA base pairs. The shift of peak potential indicates the ion interaction mode between the complex and DNA. The binding constant of the compound to DNA is 4.37 × 104. The complex also seems to be an efficient photocleavage reagent.
Preparation of Li4.4Al0.4Si0.6O4‐xLi3BO3 Solid Electrolytes by Sol‐Gel Method and Their Ionic Conductivity
Authors: Liu Hua‐Ting , Chen Ru‐Fen , Song Xiu‐Qin 
Published: September 2010

AbstractThe Li4.4Al0.4Si0.6O4‐xLi3BO3 (x = 0 to 0.5) km conductors were prepared by the sol‐gel method. The powder and sintered samples were characterized by DTA‐TG, XBD, SEM and ac impedance techniques. The temperature of the preparation of powder patterns decreased by this method as compared to that of the preparation in solid state reaction. The conductivity and storability increased with Li3BO3, increasing from x = 0 to 0.2 in the Li4.4Al0.4S0.4O4‐xLi3BO3, solid electrolytes. The particle size of the sintered pellets is about 0.12 μm. The maximum conductivity at 20 °C is 3.165 × 10−5 S.cm−1 for Li4.4Al0.4Si0.6Q4‐0.2Li3BO3.
Photoinduced Electron Transfer between N, N, Nr, N' ‐Tetra‐(p‐methylphenyl)‐4, 4‐diamino‐1, 1'‐diphenyl Ether (TPDAE) and Fullerenes (C60/C70) by Laser Flash Photolysis
Authors: Zeng He‐Rng 
Published: September 2010

AbstractThe photoinduced electron‐transfer reaction of N, N, N', N'‐tetra‐(p‐methylphenyl)‐4,4'‐diamino‐1,1'‐diphenyl ether (TPDAE) and fullerenes (C60/C70) by nanosecond laser flash photolysis occurred in benzonitrile. Transient absorption spectral measurements were carried out during 532 nm laser flash photolysis of a mixture of the fullerenes (C60/C70) and TPDAE. The electron transfer from the TPDAE to excited triplet state of the fullerenes (C60/C70) quantum yields and rate constants of electron transfer from TPDAE to excited triplet state of fullerenes (C60/C70) in benzonitrile have been evaluated by observing the transient absorption bands in the near‐IR region where the excited triplet state, radical anion of fullerenes (C60/C70) and radical cations of TPDAE are expected to appear.
Resonance Scattering Spectral Determination of HSA with a New Scattering Enhanced Reagent of K3[Fe(CN)6]
Authors: Jiang Zhi‐Liang , Peng Zhong‐Li , Liu Shao‐Pu 
Published: September 2010

AbstractA new resonance scattering spectral (RSS) method for the determination of human serum album (HSA) has been proposed with the resonance scattering enhanced reagent of K3[Fe‐(CN)6]. In the medium of HCl (2.0 × 10−3 mol/L), HSA may combine with [Fe(CN)6]3‐ by intermolecular forces (mainly by electrostatic force) to form { [Fe (CN)6]3‐n ‐HSAm+ }k nanoparticle of the ion‐association complexes of HSAm+‐[Fe(CN)6]3‐n. There is a strongest resonance scattering intensity at 351 nm, owing to the existence of the resonance scattering of the nanoparticle, [Fe(CN)4]3‐ molecular absorption and the non‐distribution of the emission intensity of Xe lamp in the range of 200–1000 nm. In addition, two resonance scattering peaks at 470 and 700 nm were observed. The HSA concentration in the range of 0–12 μg/mL is linear to the resonance scattering intensity at 351 nm. The determination limit of this method is 0.1 μg/mL HSA, about ten‐fold lower than that of Coomassie brilliant blue protein assay. This method has been used for the determination of HSA in human serum and synthetic samples with satisfactory results. The mechanism of enhanced resonance scattering light, the TEM of the particle, the concepts of quasi‐elastic absorption and un‐elastic absorption were also discussed.
Synthesis and Crystal Structure of a Novel Mixed Nido‐like and Half‐open Cubane‐like Cluster [(n‐Bu)4N]3[MoS4Cu5Br6]
Authors: Liu Quan , Xu Qing‐Feng , Zhang Yong , Chen Jin‐Xiang , Zhou Zhi‐Feng , Lang Jian‐Ping 
Published: September 2010

AbstractReaction of (NH4)2MoS4 with [Cu(MeCN)4] (BF4) and (n‐Bu)4NBr in CH2Cl2 afforded a new hexanuclear cluster [(n‐Bu)4N]3[MoS4Cu5Br6] (1). 1 crystallizes in the monoclinic system, space group P21/c, with lattice parameters a = 1.17383(4) nm, b = 2.40136(4) nm, c = 2.64112(5) nm, β = 94.2020(5)°, V = 7.4247(5) nm3 and Z = 4. The structure of the [MoS4Cu5Br6]3‐ trianion of 1 is composed of one nido‐like [MoS3Cu3] core and one half‐open cubane‐like [MoS3Cu3Br] core, which are interconnected by sharing the same MoSCuS plane. The MoCu distances vary in the range of 0.2622(6)‐0.2692(5) nm.
X‐Ray Structure of 8‐Quinolinolato Lanthanide Complex: (8‐Quinolinolato) bis (2,6‐di‐ tert ‐butyl‐4‐methylphenoxo) samarium
Authors: Yuan Fu‐Gen , Liu Qmg‐Sheng , Weng Lin‐Hong 
Published: September 2010

AbstractThe heteroleptic (8‐quinolinolato)bis(2,6‐di‐tert‐butyl‐4‐methyl‐phenoxo) samarium complex was synthesized and characterized by elemental analysis, IR spectrum and X‐ray diffraction analysis. The complex is a five‐coordinate dimer. Each 8‐quinolinolato oxygen atom links two samarium atoms as a bridge and the Sm‐N bond is a typical donor bond.
Studies on Middle‐Phase Microemulsions of Green Surfactant n‐Dodecyl Polyglucoside C12G1.46
Authors: Jin‐Ling Chai , Chang‐Ju Wu , Gan‐Zno Li , Gao‐Yong Zhang 
Published: September 2010

AbstractThe three‐phase behavior in the quaternary system of n‐dodecyl polyglucoside C12G1.46/1‐butanol/cyclohexane/water has been studied at 40°C in terms of the variables γ and δ. Increasing δ at constant γ causes a phase inversion from an oil‐in‐water microemulsion in contact with excess oil (winsor I or 2) to a water‐in‐oil microemulsion in contact with excess water (winsor II or 2−) via a middle‐phase microemulsion in contact with excess oil and water (winsor III or 3). By taking into account the different solubilities of alkyl polyglucoside and 1‐butanol in the oil phase, the composition of the hydrophile‐lipophile balanced interfacial film in the middle of the three‐phase body can be calculated. The effects of different oils and aqueous media on the phase behavior and on the composition of the interfacial film and the efficiency for alkyl polyglucoside to make equal weights of water and oil to a single phase were investigated. It was found that the oil molecules with small molecular volumes can improve the solubilizing efficiency of the surfactant to form single‐phase microemulsion. In inorganic salt (NaCl) and add (HCl) solutions, less 1‐butanol is needed than that in alkali (NaOH) solution to form middle‐phase microemulsion.
Microcalorimetric Study on the Oscillating System of Two‐phase Reaction of Aqueous Acid with Primary Amine in Chloroform
Authors: Hong‐Lin Zhang , Xiu‐Fang Yu , Cheng‐Xue Lu , Si‐Xiu Sun , Guo‐Hna Gu , Xim Fu 
Published: September 2010

AbstractIt has been found that the two‐phase reactions of aqueous HCl, HOAc or H3PO4with primary amine N1923in chloroform are oscillating reactions. Their power‐time curves were measured by the titration microcalorimetric method, and the induction period (tta). The first oscillating period (tp.1) and the second oscillating period (tp.2) were determined. The apparent activating parameters and the orders of the oscillating systems were calculated and the following relationships were established: for the oscillating system of hydrochloric acid tin∞ c0.147HCIexp(1.35 × 103/T), tp.1∞ c0.241HCI, exp(4.33 × 103/T), tp.2∞ c0.290HCIexp(5.59 × 103/T); for the oscillating system of acetic acid, tin∞ c0.883HOAcexp(2.32 × 103/T), tp.1∞ c0.399BOAc, exp(4.50 × 103/T), tp.2∞ c0.301HOAcexp(5.88 × 103/T); for the oscillating system of phosphoric acid, tin∞ c1.14exp(7.70 × 104), tp.1∞ c1.42exp (1.14 × 104/T), tp.2∞ c1.47exp (1.27 × 104/T)
Study of the Ion Channel Behavior of Didodecyldimethylammonium Bromide Formed Bilayer Lipid Membrane Stimulated by PF6−
Authors: Yue‐Hong Tong , Xiao‐Jun Han , Er‐Kang Wang 
Published: September 2010

AbstractBilayer lipid membranes (BLM) formed from didodecyldimethylammonium bromide were made on the freshly exposed surface of a glassy carbon (GC) and were demonstrated by the ac impedance spectroscopy. The ion channels of membrane properties induced by PF6− were studied by the cyclic voltammetric methods. Experimental results indicated that the ion channel of BLM was open in the presence of the PF6− due to the interaction of PF6− with the BLM, while it was switched off in the absence of PF6−, Because the ion channel behavior was affected by the concentration of PF6−, a sensor for PF6− can be developed.
Study on the Methyl Migration of 10‐Methoxy‐5,10‐dihydrophenophosphazine 10‐oxide
Authors: Zhi‐Gang Yin , De‐Feng Zhao 
Published: September 2010

AbstractThe title compound (1) was treated with NaH at room temperature in anhydrous DMF to give a sodium salt (containing nitrogen anion) which could shin the methyl group from oxygen to nitrogen atom to form N‐methyl phosphinic add as the reaction temperature was increased to 120°C. Three nitro derivatives containing 5,10‐dihydrophenophosphazine ring system were prepared for the investigation on the above reaction mechanism which would be possibly regarded as a special inter‐molecular substitution, viz., the nucleophilic nitrogen anion from one molecule of 1 attacked the carbon atom of the O‐methyl of another 1. In addition, the chemical structures of seven compounds containing 5,10‐dihydrophenophosphazine ring system involved in the experiment were confirmed by IR, 1H NMR, 31P NMR and mass spectroscopy.
Structural Elucidation and Antitumor Activity of Polysaccharide AMP‐1 from Atractylodis macrocephalae K.
Authors: Jun‐Jie Shan , Wd Ke , Jun‐E Deng , Geng‐Yuan Han 
Published: September 2010

AbstractA polysaccharide named as AMP‐1 was isolated from the root of Atractylodis macrocephalae Koidz, and purified by ethanol fractionation and gel filtration. The homogeneity of AMP‐1 was determined by HPLC and capillary electrophoresis that gave a single peak. AMP‐1 is composed of galactose and mannose in a molar ratio of 1.0:1.9. Its molecular weight is 3.8 × 103. The structure of ghycan was elucidated by IR, 1H NMR, 13C NMR and methylation analysis, and on the basis of the results was suggested that AMP‐1 contain a backbone of β. (1–2)‐D‐galactose residues with branches of single β‐D‐mannose residue being substituted at the O‐6. Bioactivity assay of AMP‐1 showed that it could inhibit growth of Sarcoma 180 and Lewis pulmonary carcinoma implanted in mice.
Synthesis of the Cyclopentenylamine Derivatives Promoted by SmI2
Authors: Xiao‐Liang Xu , Yong‐Min Zhang 
Published: September 2010

AbstractThe intermolecular reductive coupling of 1,1‐diaryl‐2,2‐dicyanoethylenes with cinnamic esters promoted by samarium(II) iodide was studied. Functionalized cyclopentenylamine derivatives were prepared in good yields under neutral and mild conditions.
Synthesis and Properties of a New Two‐photon‐absorbed Material DMAEAS
Authors: Yun‐Xing Yan , Xiao‐Qiang Yu , Dong Wang , Xian Zhao , Qi Fang , Min‐Hua Jiang 
Published: September 2010

AbstractTrans‐4‐(N, N'‐dimethyl amino)‐4′‐(N, N'‐diethyl amino) stilbene (DMAEAS) has been synthesized and characterized by 1H NMR spectra, IR spectra, and elemental analyses. Its linear absorption, single‐photon induced fluorescence and two‐photon induced fluorescence are experimentally studied. This new dye has a great two‐photon absorption (TPA) cross‐section of δ2 = 1.16 × 10–46 cm4·s/photon at 532 nm by using an open aperture Z‐scan system. When pumped with 800 nm laser irradiation, DMAEAS shows a strong two‐photon induced blue fluorescence of 440 nm.
Exchange Interaction of a Novel Heterospin Polynuclear Complex Containing Transition Metals and Imino Nitroxide Radicals: {[(CuL)Nid (IM‐2Py)2] (C104)2}2·2H2O
Authors: Zhi‐Liang Liu , Li‐Cun Li , Dai‐Zheng Liao , Zong‐Hui Jiang , Shi‐Ping Yan 
Published: September 2010

AbstractA novel heterospin complex {[(CuL) Ni(IM‐2Py)2] (ClO4)2}2· 2H2O (L = 2,3‐dioxo‐5,6:14, 15‐dibenzo‐1,4,8,12‐tetraazacyclo‐pentadeca 7, 12‐diene, IM‐2Py = 2‐(2′‐pyridyl)‐4, 4, 5, 5‐tetramethyl‐4, 5‐dihydro‐1H‐imidazoline‐1‐oxyl) has been synthesized and its crystal structure was determined by X‐ray diffraction analysis. In order to interpret the exchange interaction of tins asymmetric heterospin system, a theoretical model has been established. Using this theoretical model the magnetic susceptibility data have been fitted and lead to coupling constant values equal to 1.4 cm−1 (Ni‐Rad) and‐38.0 cm−1(Ni‐Cu), respectively.
Chiral Ferrocenyl Amino Alcohols: Preparation and Application as Catalysts in the Enantioselective Reduction of Ketones Using NaBH4/I2
Authors: Wd‐Yi Chen , Jun Lu , Zong‐Xuan Shen , Jian‐Ping Lang , Li‐Fen Zhang , Ya‐Wen Zhang 
Published: September 2010

AbstractFive novel chiral ferrocenyl amino alcohols were prepared from natural amino adds and used as catalysts in the asymmetric reduction of prochiral ketones with NaBH4/I2 combination. The incorporation of the ferrocenyl moiety into the molecule of the chiral amino alcohols greatly improved their enantioselectivity in the catalysis. The optically active secondary alcohols were obtained in moderate to good enantiomeric excesses and high chemical yields.
Chemical Constituents of Ailanthus triphysa
Authors: Shu‐Hua Qi , Da‐Gang Wu , Yun‐Bao Ma , Xiao‐Dong Luo 
Published: September 2010

AbstractTwo new compounds, 8(14),15‐isopimaradiene‐2α,3α,19‐triol (1), and 6α,7β‐dihydroxy‐17(20)‐cis‐5α‐pregna‐16‐one (2), together with four known compounds, a oxygenated rare phyllocladane, phyllocladan‐16a, 19‐diol (3), kaempferol‐3‐O‐β‐D‐galactopyranoside, kaempferol‐3‐O‐α‐L‐rhamnopyranoside and scopoletin, were isolated from the leaves of Ailanthus triphysa. Structures of 1–3 were elucidated on the basis of spectroscopic data as compared with related compounds.
Ab initio Mechanism Study on the Reaction of Chlorine Atom with Formic Acid
Authors: Hai‐Tao Yu , Yu‐Juan Chi , Hong‐Gang Fu , Ze‐Sheng Li , Jia‐Zhong Sun 
Published: September 2010

AbstractThe potential energy surface (PES) for the reaction of Cl atom with HCOOH is predicted using ab initio molecular orbital calculation methods at UQCISD(T, full)/6–311 ++ G(3df,2p)/UMP2(full)/6–311+ G(d, p) level of theory with zero‐point vibrational energy (ZPVE) correction. The calculated results show that the reaction mechanism of Cl atom with formic acid is a C‐site hydrogen abstraction reaction from cis‐HOC(H)0 molecule by Cl atom with a 3.73 kJ/mol reaction barrier height, leading to the formation of cis‐HOCO radical which will reacts with Cl atom or other molecules in such a reaction system. Because the reaction barrier height of O‐site hydrogen abstraction reaction from cis‐HOC(H)O molecule by Cl atom which leads to the formation of HCO2 radical is 67.95 kJ/mol, it is a secondary reaction channel in experiment. This is in good agreement with the prediction based on the previous experiments.
Molecular Interactions in Binary Mixtures of Benzene with 1‐Alkanols (C5, C7, C8) at 35 °C: An Ultrasonic Study
Authors: Ali A. , Nain A. K. , Kumar N. , Ibrahim M. 
Published: September 2010

AbstractDensities and ultrasonic speeds have been measured in binary mixtures of benzene with 1‐pentanol, 1‐heptanol and 1‐octanol, and in the pure components, as a function of composition at 35 °C. The isentropic compressibility, intermolecular free length, relative association, acoustic impedance, isothermal compressibility, thermal expansion coefficient, deviations in isentropic compressibility, excess free length, excess volume, deviations in ultrasonic speed, excess acoustic impedance, apparent molar compressibility, apparent molar volume, partial molar volume of 1‐alkanol in benzene have been calculated from the experimental data of densities and ultrasonic speeds. The variation of these parameters with composition indicates weak interaction between the component molecules and this interaction decreases in the order: 1‐pentanol > l‐heptanol> 1‐octanol. Further, theoretical values of ultrasonic speeds were evaluated using free length theory, collision factor theory, Nomoto's relation and Van Dæl‐Vangeel ideal mixing relation. The relative merits of these theories and relations were discussed for these systems.
Three‐dimensional Quantitative Structure‐Activity Relationship Analyses of a Series of Butenolide ETAAntagonists
Authors: Li‐Li Zhu , Xiao‐Jie Xu 
Published: September 2010

AbstractTwo kinds of Three‐dimensional Quantitative Structure‐activity Relationship (3D‐QSAR) methods, comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA), were applied to analyze the structure‐activity relationship of a series of 63 butenolide ETAselective antagonists with respect to their inhibition against human ETAreceptor. The CoMFA and CoMSIA models were developed for the conceivable alignment of the molecules based on a template structure from the crystallized data. The statistical results from the initial orientation of the aligned molecules show that the 3D‐QSAR model from CoMFA (q2= 0.543) is obviously superior to that from the conventional CoMSIA (q2= 0.407). In order to refine the model, all‐space search (ASS) was applied to minimize the field sampling process. By rotating and translating the molecular aggregate within the grid systematically, all the possible samplings of the molecular fields were tested and subsequently the one with the highestq2was picked out. The comparison of the sensitivity of CoMFA and CoMSIA to different space orientation shows that the CoMFAq2values are more sensitive to the translations and rotations of the aligned molecules with respect to the lattice than those of CoMSIA. The best CoMFA model from ASS was further refined by the region focused technique. The high quality of the best model is indicated by the high cross‐validated correlation and the prediction on the external test set. The CoMFA coefficient contour plots identify several key features that explain the wide range of activities, which may help us to design new effective ETA selective antagonists.
Phase Chemistry and Thermochemistry on Coordination Behavior of Zinc Chloride with Leucine
Authors: Sheng‐Li Gao , San‐Ping Chen , Rong‐Zu Hu , Qi‐Zhen Shi 
Published: September 2010

AbstractThe solubility property of the ZnCl2‐Leu‐H2O (Leu= L‐α‐leucine) system at 298.15 K in the whole concentration range was investigated by the semimicro‐phase equilibrium method. The corresponding solubility diagram and refractive index diagram were constructed. The results indicated that there was one complex formed in this system, namely, Zn(Leu)Cl2. The complex is congruently soluble in water. Based on phase equilibrium data, the complex was prepared. Its composition and properties were characterized by chemical analysis, elemental analysis, IR spectra, and TG‐DTG. The thermochemical properties of coordination reaction of zinc chloride with L‐α‐leucine were investigated by a microcalorimeter. The enthalpies of solution of L‐α‐leucine in water and its zinc complex at infinite dilution and the enthalpy change of solid‐liquid reaction were determined at 298.15 K. The enthalpy change of solid phase reaction and the standard enthalpy of formation of zinc complex were calculated. On the basis of experimental and calculated results, three thermodynamic parameters (the activation enthalpy, the activation entropy and the activation free energy), the rate constant and three kinetic parameters (the activation energy, the pre‐exponential constant and the reaction order) of the reaction, and the standard enthalpy of formation of Zn(Leu)2+ (aq) were obtained. The results showed that the title reaction took place easily at studied temperature.
Syntheses, Structures and Characterizations of Two New Vanadium (V) Complexes: [2‐MePyH] [ VvO2 (C14H9N2O3Br)] and [2‐EtPyH ] [ VvO2 (C14H9N2O3Br) ]
Authors: Xiu‐Tang Zhang , Quan‐Zheng Zhang , Wen‐Bin Yang , Ding‐Ming Wu , Can‐Zhong Lu 
Published: September 2010

AbstractTwo new oxovanadium(V) complexes, [2‐MePyH][VvO2(L)] (3) and[2‐EtPyH][VvO2,(L)] (4) (salicylaldehyde 5‐bromo salicyloylhydrazone is abbreviated as H2L; 2‐MePyH is protonated 2‐Mepyridine; 2‐EtPyH presents protonated 2‐Et‐pyridine) were obtained from a reaction of VOSO4 and H2L in acetonitrile‐methanol with small quantity of 2‐Me‐pyridine or 2‐Et‐pyridine, and characterized by X‐ray diffraction and spectroscopic methods. Crystal data: [2‐MePyH][VO2(L)] (3), C20H17N3O5BrV, Mr = 510.2, monoclinic, P21/n, a = 0.7363(1) nm, 6 = 0.9514(1) nm, c = 2.8594(2) nm, β = 95.305(2)°, Z = 4 and V=1.9946(3) nm3, μ(Mo Kα) = 2.539 mm−1; [2‐EtPyH][VO2(L)] (4), C21H19N3 O3BrV, Mr = 524.2, triclinic, P1, a = 0.8051(1) nm, b = 0.9413(1) nm, c = 1.4648(2) nm, α=99.1900(10)°, α = 99.4530(10)°, γ = 104.6670(10)°, Z = 2 and V= 1.0355(2) nm3, μ(Mo Kα) = 2.448 mm−1, X‐Ray analyses revealed that the crystal structures of 3 and 4 have similar packing modes.
Polymeric Structure and Solid NMR Spectra of Cadmium (II) Dialkyldithiophosphates (Alkyl = Propyl, Butyl, Isopropyl and Isobutyl)
Authors: Ye‐Gao Yin , Fording Willis , Antzutkin Oleg , Lindbergh Mats , Ivanov Alexander , Boströum Dan 
Published: September 2010

AbstractBy dropwise adding thio ligands to concentrated aqueous solutions of Cd(ClO4)2·6H2O, polymeric complexes, Cd(II) O, O'‐dipropyldithiophosphate (1), O, O'‐dibutyl‐dithiophosphate (2), O, O'‐diisopropyl‐dithiophosphate (3) and O, O'‐diisobutyl‐dithiophosphate (4) were obtained. The structure of 4 was determined by X‐ray diffraction analysis, showing that the metal ion sits in distorted tetrahedral sulphur coordination sphere and that the eight‐membered bimetallic rings take the twist chair and boat conformations, alternately. Based on facts that the S(1)—Cd bond length [0.25099(12) nm] is shorter than the other S—Cd bond length [0.25399(12)—0.25701(18) nm] and that the S(1)‐involving angles [113.45(4)°—118.43(5)°] are systematically larger than the normal angles of a tetrahedron, the ligands are hypothesized to be erratically functionalized to Cd(II). To certify the steric nonequivalence of ligands, the compounds were investigated by solid 13C, 31P and 113Cd NMR spectroscopy.