bluuebunny/crossref_metadata_2025_split huggingface dataset:
Expected and unexpected etherification of 2‐per(poly)fluoroethyl 4‐substituted phenol with β‐haloethanol
Authors: Yu Hong‐Bin , Li Rui‐Qing , Huang Wei‐Yuan , Mak Thomas , Zhou Zhong‐Yuan C. W. 
Published: September 2010

AbstractUnder different reaction conditions, the expected and unexpected reaction products (of which X‐ray crystallographic structure was presented) of etherification of 2‐per(poly)fluoroethyl 4‐substituted phenol with β‐haloethanol can be obtained respectively.
Investigation on the computation of atomic multipole moments with the modified cumulative potential‐derived semiempirical method
Authors: Xu Li‐Jin , Zhu Chuan‐Bao , Yan Ji‐Min 
Published: September 2010

AbstractThe suitability of calculating atomic multipole moments from AM1 wave functions by cumulative potential‐derived method has been investigated. It is shown that this method has a faster convergence of the fitting process and gives a better description of the charge distribution than the original PD method. Atomic charges obtained in this way are of comparable quality with 6‐31G* data and the calculated dipole moments are closer to the experimental data than the values computed directly from the AM1 charges. The results demonstrate that the atomic multipole moments higher than monopole moment can be used to supplement the atomic charge to obtain a more accurate description of charge distribution. For the sake of comparison, both the Williams fitting potential surface and the Connolly one are used in the calculation.
A novel formula for location of double bond in alkenyl acetates and alcohols based on mass spectral data of dimethyl disulfide derivatives
Authors: Xiao Jun‐Hua , Yuan Gu , Yang Li‐Zhang , Sun Yu‐Fang , Wang Xian‐Lun 
Published: September 2010

AbstractA new formula was presented for locating double bond position in dodecenols, tetradecenols, hexadecenols and their acetates, based on mass spectral data of dimethyl disulfide derivatives. In this procedure, molecular ion and base peak ion were utilized as characteristic parameters to identify the positional isomers. The method was tested with mass spectra of 25 dimethyl disulfide derivatives of mono‐unsaturated acetates and alcohols, and the original double‐bond position in each isomer was located unambiguously.
Synthesis of some new germasesquioxides by intramolecular catalytic Mannich‐type reactions
Authors: Zhang Zhong‐Biao , He Da‐Yong , Chi Guo‐Chen , Chen Ru‐Yu 
Published: September 2010

AbstractA convenient procedure for the preparation of some new germasesquioxides containing phosphonyl groups carried by an intramolecular catalytic Mannich‐type reaction is reported.
Asymmetric total synthesis of (+)‐1‐deoxy‐6‐epi‐castanospermine
Authors: Yi‐Ming Xu , Wei‐Shan Zhou 
Published: September 2010

Abstract(+)‐l‐Deoxy‐6‐epi‐castanospermine was asymmetrically synthesized in ten steps from a‐furfuryl amine derivative 6 in 2.9% overall yield. The kinetic resolution of a‐furfuryl mine derivative 6 and Sharpless AD reaction of 14 were used as key steps.
Synthesis of unsaturated phosphatidyl inositol‐3,4,5‐trisphosphate
Authors: Shoichiro Ozaki , Xiang‐Zheng Kong , Yutaka Watanabe , Tomio Ogasawara 
Published: September 2010

AbstractPhosphatidylinositol polyphosphate (PIPx) are related with tyrosine kinase activation and cell proliferation and carcinogenesis. PIPx is an important target compound for synthetic organic chemist. PIPx having saturated fatty acid components have been reported. Recently we have succeeded in the synthesis of phosphatydylinositol‐3,4,5‐trisphosphate with unsaturated fatty acid component by the reaction of diethyl chlorophosphite with 1,2‐di‐O‐cyclohexylidene‐3,4‐0‐(tetraisopropyldisiloxane 1,3‐diyl)‐6‐O‐(4‐oxopentanoyl)‐myo‐inositol.
Highly efficient catalysts derived from planar chiral ferrocenes for asymmetric transfer hydrogenation of ketones
Authors: Xiang‐Dong Du , Li‐Xin Dai , Xue‐Long Hou , Li‐Jun Xia , Ming‐Hua Tang 
Published: September 2010

AbstractPlanar chiral ferrocenes 1 and its diastereoisomer 2 were found to be good lig‐ands for. the ruthenium catalyzed asymmetric transfer hydrogenation of ketones with i‐PrOH as hydrogen source under refluxing in the presence of sodium hydroxide. The results showed that the absolute configuration of alcohol seemed to be governed by the central chirality in the oxazoline ring instead of the planar chirality. At a ratio of 1:2 for Ru:ligand, 3000:1 S/C and >100,000/h−1 TOF were observed for acetophenone. For propiophenone 99% yield and 85% e.e. were obtained.
Studies on the synthesis and magnetic property of binuclear oxovanadium(IV) complexes bridged by chloranilato group
Authors: Yan‐Tuan Li , Cui‐Wei Yan , Dai‐Zheng Liao 
Published: September 2010

AbstractSix novel oxovanadium(IV) binuclear complexes have been synthesized and characterized, namely, [(VO)2(CA)L2]SO4 [L denotes 5‐methyl‐1,10‐phenanthroline (Me‐phen); 2,9‐dimethyl‐1,10‐phenanthroline (Me2‐phen); 5‐chloro‐1,10‐phenanthroline (Cl‐phen); diaminoethane (en); 1,3‐diaminopropane (pn) and 1,2‐diaminopropane (ap) respectively.], where CA represents the dianion of chloranilic acid. Based on elemental analyses, molar conductivity and room temperature magnetic moment measurements, IR and electronic spectral studies, it is proposed that there complexes have CA‐bridged structures and consist of two vanadium(IV) ions in a square‐pyramidal environment. The complexes [(VO)2(CA)(Me‐phen)2]SO4 (1) and [(VO)2(CA)(Me2‐phen)2]SO4 (2) were characterized by variable temperature magnetic susceptibility measurements (4∼300 K) and the observed data were fitted to the modified Bleaney‐Bowers equation by the least‐squares method, giving the exchange integral J=‐15.8 cm−1 for 1 and J=‐10.6 cm−l for 2. This result indicates that there is a weak antiferromagnetic spin‐exchange interaction between the two VO2+ ions within each molecule.
Investigation of carbon‐13 nuclear magnetic resonance spectra‐structure correlation based on novel atomic distance‐edge (ADE) vector
Authors: Shu‐Shen Liu , Chen‐Zhong Cao , Zhi‐Liang Li 
Published: September 2010

AbstractA set of novel graph‐theoretical parameters, called the atomic distance‐edge (ADE) vector, was developed. Baaed on the connecting C‐C bond number between central carbon atom and the other ones, various carbon atoms of alkanes were classified as four types, i.e., type 1, 2, 3 and 4 for primary, secondary, ternary and quaternary carbon, respectively; and then four regression equations were obtained to link carbon‐13 chemical shift (CS) of each type of atoms. Furthermore, these regression models were used to predict the carbon‐13 nuclear magnetic resonance spectra of alkanes and it was found that the estimated CS were in agreement with the experimental results.
Transfer of lanthanum ion across the adsorption of emulsifier OP at the water‐nitrobenzene interface
Authors: Jun‐Wei Di , Hong‐Lan Cai , Rui‐Xi Fan 
Published: September 2010

AbstractThe transfer of lanthanum ion facilitated by diantipyrylmethane (DAM) across the water/nitrobenzene (w/nb) interface and the adsorption of emulsifier OP at the w/nb interface has been studied by the cyclic voltammetry. The mechanism of the charge transfer reactions is discussed. It has been concluded that the transfer of rare earth metal ion (La3+) facilitated by neutral ionophore (DAM) at the w/nb interface is E mechanism and the nonionic surfactant (emulsifier OP) can participate in the charge transfer process M an ionophore, charge transfer catalyst and inhibitor.
Optimization separation of five phosphoamidothioate enantiomers using a series of silica and chiral column by high‐performance liquid chromatography
Authors: Ru‐Yu Gao , Hua‐Zheng Yang , Jun‐Min Huang , Qin‐Sun Wang 
Published: September 2010

AbstractA computer‐assisted method is described for optimization of multi‐component, mobile phase selection for separation of five phosphoamidothioate enantiomers with a series of silica and chiral columns in normal phase HPLC. The method is based on the triangular solvent selection concept using a statistical scanning method. The optimization of the separation over the experimental region is based on a special polynomial estimation from seven experimental runs, and resolution (Rs) is used as the selection criterion. Excellent agreement was obtained between predicted and experimental data.
Organic solvent enhanced a‐helical formation of a nonadecapeptide derived from Trichosanthin (TCS 182–200)
Authors: Hong‐Yu Hu , Zi‐Xian Lu , Yu‐Cang Du 
Published: September 2010

AbstractA model peptide, TDK, was studied by circular dichroism to elucidate the effect of organic solvent on α‐helical formation. The a‐helicities enhanced by various alcohol solvents, especially fluorine‐substituted alcohols were systematically compared. The relations between a‐helical formation of a peptide and external environment were also discussed in detail. These environmental elements mainly include hydrophobicity, dielectric constant and acidity of the solvents.
1,3‐Dipolar cycloaddition reaction of two different azomethine ylides to C70
Authors: Da‐Gui Zheng , Yu‐Liang Li , Lou‐Zhen Fan , Feng‐Ying Li , Yong‐Fanga Li , Dao‐Ben Zhu 
Published: September 2010

Abstract1,3‐Dipolar cycloaddition to C70 of an azomethine ylide, which was generated in situ from refluxing a mixture of cyclohexanone and DL‐valine in chlorobenzene under N2, afforded a monoadduct and a bisadduct. Even for longer reaction time, however, only monoadduct waa obtained from the reaction of C70 with an azomethine ylide generated from refluxing a mixture of 2‐undecanone and 2‐aminoisobutyric acid in chlorobenzene under N2. The electrochemical properties of all the products were studied by cyclic voltammetry.
Theoretical investigation of the decomposition of monofluoromethanol
Authors: Hua Hou , Jing‐Zhong Guo , Chuan‐Pu Liu , Yue‐Shu Gu 
Published: September 2010

AbstractAb initio calculations have been used to study the decomposition pathways of monofluromethanol. Equilibrium geometries and transition state structures were optimized at the HF/6‐31G(d) and MP2/6‐31G(d) levels. Single point energies were obtained at different levels of theory. The most favorable reaction to dissociation is the 1,2‐HF elimination which is consistent with the experimental results.
Ozone reduction at Nafion modified Au electrode and the measurement of ozone concentration in highly resistive solutions
Authors: Pei‐Fang Liu , Li‐Bai Wen 
Published: September 2010

AbstractThe mass transport and charge transfer kinetics of ozone reduction at Nafion coated Au electrodes were studied in 0.5 mol/L H2SO4 and highly resistive solutions such as distilled water and tap water. The diffusion coefficient and partition coefficient of ozone in Nafion coating are 1.78×10−6 cm2·s−l and 2.75 at 25°C (based on dry state thickness), respectively. The heterogeneous rate constants and Tafel slopes for ozone reduction at bare Au are 4.1×10−6 cm·s−1, 1.0×10−6 cm·s−1 and 181 mV, 207 mV in 0.5 mol/L H2SO4 and distilled water respectively and the corresponding values for Nafion coated Au are 5.5×10−6 cm·s−l, 1,1×10−6 cm·s−1 and 182 mV, 168 mV respectively. The Au microelectrode with 3 μm Nafion coating shows good linearity over the range 0–10 mmol/L ozone in distilled water with sensitivity 61 μA·ppm−1·cm−2, detection limit 10 ppb and 95% response time below 5 s at 25°C. The temperature coefficient in range of 11–30°C is 1.3%.
Study of chiral recognition mechanism of O, O‐diethyl (p‐methylbenzenesulfonamindo)aryl(alkyl)‐methylphosphonates by HPLC with a series of CSPs
Authors: Guo‐Sheng Yang , Qing Dai , Ru‐Yu Gao , Qin‐Sun Wang , Han‐Xi Shen 
Published: September 2010

AbstractFive chiral stationary phases (CSPs) were used to separate the enantiomers of a series of O,O‐diethyl (p‐methyl‐benzenesulfonamindo)‐aryl(alkyl)‐methylphosphonates. A chiral recognition mechanism was presented to explain the resolution of these compounds. Results show that CSP with strong π‐acceptor 3,5‐dinitrobenzoyl group and high steric hindrance has the best resolution ability in chiral separation of O,O‐diethyl (p‐methylbenzenesulfonamindo)‐aryl(alkyl)‐methylphosphonates. When a CSP has just a strong π‐acceptor 3,5‐dinitrobenzoyl or high steric hindrance it does not have good chiral resolution ability. The chiral recognition is more difficult when the CSP has more than one asymmetric center.
Enantioselective allylation of aldehydes with chiral allyl organolanthanide reagents
Authors: Chang‐Tao Qian , Tai‐Sheng Huang 
Published: September 2010

AbstractThe first example of enantioselective allylation of aldehydes with chiral allyl organolanthanide reagents has been achieved in high chemical yield and moderate optical purity (up to 54% e.e.).
Standard Gibbs energies of transfer of rubidium tetraphenylborate from water to straight‐chain n‐alkanols
Authors: Li‐Zhuang Zou , Xiao‐Ling Wang , Feng‐Ge Wang , Pi‐Jian Zhang , Xiang‐Kun Guo , Bao‐Xue Zhou , Song‐Sheng Qu 
Published: September 2010

AbstractSolubilities of ribidium tetraphenylborate in water, methanol, ethanol, 1‐propanol, 1‐butanol, 1‐pentanol, 1‐hexanol and l‐octanol at 288.15, 298.15, 308.15, 318.15, 328.15 K have been determined by spectrophotometry. The standard Gibbs energy of transfer of ribidium tetraphenylborate from water to straight‐chain n‐alkanols and the primary medium effect of rubidium tetraphenylborate from 288.15 to 328.15 K have been calculated. Furthermore, the contribution of microscopic interactions to the standard Gibbs energy of transfer of rubidium tetraphenylborate in calculated and discussed.
A quantum scattering study of collinear state‐testate reaction probabilities for the F + H2(v) → HF(v') + H system
Authors: Wen‐Cai Lu , Zheng‐Ting Cai , Cong‐Hao Deng 
Published: September 2010

AbstractA new quantum scattering approach (linear combination of arrangement channels‐scattering wavefunction, LCAC‐SW) proposed by Deng and his co‐workers is used to calculate collinear state‐to‐state reaction probabilities for the F + H2(v) → HF(v') + H system. Several interesting problems such M threshold energy, compound states and enhance by translational energy of the reactants and the vibration excitation of products are discussed and they are compared with other theoretical investigations reported in the literature. It is shown that the LCAC‐SW approach is the successful one of quantum scattering methods.
NMR titration and molecular model MOPAC calculation of protonation processes of two MRI ligands
Authors: Shan‐Rong Zhang , Xin‐Yu Li , Wei‐Dong Liu , Feng‐Kui Pei 
Published: September 2010

AbstractThe protonation process of two DTPA bis(amide) derivatives, DTPA‐BDMA and DTPA‐BDEA, was studied by using 1H NMR titration and MOPAC calculation. Their protonation process was proposed in the order of the central amine, the terminal amines, the central carboxyl, the terminal carboxyl, the other terminal carboxyl and central amine. During the protonation of the terminal amine, them existed a large fraction of proton transfer from the central amine to the other terminal amine.
Quasiclassical trajectory study of the reaction NH(X3Σ−) + H → N(4S) + H2
Authors: Li‐Jin Xu , Xue‐Bin Wang , Ji‐Min Yan , Fan‐Ao Kong 
Published: September 2010

AbstractThe dynamics of the NH + H → N + H2 reaction has been investigated by means of the 3D quasiclassical trajectory approach by using the LEPS potential energy surface. The calculated rate coefficient is in good agreement with the experimental value. The reaction was found to occur via a direct channel. The product H2 has a cold excitation of rotational state, but has a reverse distribution of the vibrational state with a peak at v=l. Based on the potential energy surface and the trajectory analysis, the reaction mechanism has been explained successfully.
Synthesis and biological activity of new heterocyclic compounds 5‐[(1,l‐dimethyl)ethyl]‐3‐aryl‐(1H‐1,2,3‐triazol‐1‐yl)‐5‐isoxazolidinols
Authors: Guo‐Feng Zhao , Gui‐Yu Jin , Zhong‐Fa Liu , Jun Ren , Yu‐Chang Li 
Published: September 2010

AbstractIn this paper new heterocyclic compounds 5‐[(1,1‐dimethyl)ethyl]‐3‐aryl‐(1H‐l,2,3‐triazol‐1‐yl)‐5‐isoxazolodinols were obtained by the reaction of vinyl triazole derivatives with hydroxylamine hydrochloride under the action of sodium carbonate. The biological tests indicate that they had plant‐growth regulating activity.
Synthesis, halogenation and structural characterization of (Z)‐1‐[2‐(triphenylstannyl)vinyl]‐1‐cyclododecanol
Authors: Kuit Huang , Fang‐Xin Fu , Hua‐De Pan 
Published: September 2010

AbstractSynthesis and characterisation of (Z)‐1‐[2(triphenylstannyl)vinyl]‐l‐cyclododecanol, c‐(CH2)11C(OH)CH=CHSnPh3, are reported, together with its halogenation by I2, Br2 and ICI to yield derivatives of the types c‐(CH2)11C(OH)CH=CHSnPhs−nXn (n=1, 2; X=I, Br, Cl, respectively). The molecular structures of two compounds have been determined by X‐ray diffraction analysis. The tin atom exhibits a distorted tetrahedral geometry in the crystal of (Z)‐l‐[2–(triphenylstannyI)vinyl]‐l‐cyclododecanol, but a trigonal bipyramidal geometry in the monoiodo‐derivative (Z)‐l‐[2]‐(diphenyliodo‐stannyl)vinyl)‐1‐cyclododecanol and other derivatives, in which significant intramolecular coordinative interaction HO→Sn ia observed. And the formation of a five‐membered tin containing ring is significant for their antitumour activities.
Synthesis of a novel cyclodextrin dimer linked by a macrocyclic polyamine
Authors: Yong Liu , Guo‐Ping Xue , Cheng‐Tai Wu 
Published: September 2010

AbstractThe first example of cyclodextrin dimer appending a macrocyclic polyamine spacer on the primary faces was synthesized via two approaches: 1, a direct reaction of 1,7‐bis(2′‐aminoethyl)‐4,10‐dimethyl‐1,4,7,10‐tetraazacyclododecane (1) with an excess of 6‐deoxy‐6‐O‐tosyl‐β‐cyclodextrin; 2, a condensation of 1 with two equivalents of 6‐deoxy‐6‐formyl‐β‐cyclodextrin, which wan followed by a reduction with NaBH4.
EPR Study on the complex formed by charge‐transfer process between ground‐state acceptor chloranil and nine donors
Authors: Ji‐Liang Shi , Cheng‐Ming Zhou , Hu‐Nan Yi , Zhi‐Hai Qiu , Yao‐Hong Fu , Xi‐Kui Jiang 
Published: September 2010

AbstractEPR study showed that the semi‐quinone radical anion of chloranil (TCQ) was formed in a charge‐transfer process between ground state chloranil as acceptor and each one of the following ground state donors, i.e., N, N‐diethyl aniline (DEA), phenothiazine (PTZ), carbazole (CBZ), pyrene (PY), ferrocene (FRO), triphenylphosphine (TPP), triethylamine (TEA), anthracene (AN) and N, N‐diethyl‐3‐aminophenyl ester of palmitic acid (DPP). Our results indicate that there is a tunneling effect for the ground‐state charge‐transfer process between chloranil and the donor.
Aggregation of deuteroporphyrin IX diesters in aqueous‐organic binary solution
Authors: Guo‐Zhen Ji , Hui Hu , Guang‐Min Zhang , Wei‐Min Fu , Dao‐Dao Zhang 
Published: September 2010

AbstractThe aggregation properties of a series of deuteroporphyrin IX diesters in the THF‐Buffer (0.1 mol·L−l Tris‐HCl) aquiorgano solvent have been studied by means of UV‐Vis and fluorescence spectrometers. Experimental data show that the dimerization of porphyrins is mainly determined by π‐π interaction in pure organic solution while further aggregation of porphyrins with long hydro‐carbon chains is more likely driven by hydrophobic‐lipophilic interaction in aqueous‐organic binary solution. The appearance of the aggregates induces a red shift in absorption spectra and fluorescence quenching in fluorescence spectra. The chain‐length effect and chain‐foldability effect have also been observed.
Photocatalytic decomposition of oil films floating on water using TiO2 supported on hollow glass microbeads by sunlight
Authors: Shi‐Fu Chen , Xue‐Li Cheng 
Published: September 2010

AbstractThe feasibility of photocatalytic decomposition of oil films floating on water using TiO2 supported on hollow glass microbeads was studied. The results showed that 100% of ethylbenzene and 78% of dodecane can be photocatalytically removed after 8 h illumination with sunlight. The TiO2 supported on the hollow glass microbeads was not easily detached from the beads. After 150 h illumination there was no significant loss of the photocatalytic activity of TiO2. Some intermediate products of photocatalytic decomposition of dodecane were detected.
EXAFS and FTIR structural characterization for the crystal of monomeric tetraphenylporphyrinato gadolinium: [Gd(TPP)acac·8H2O·3TCB]
Authors: Jian‐Zhuang Jiang , Tian‐Dou Hu , Jing‐Lei Xie , Ce Li , Jing‐Zhi Zhang 
Published: September 2010

AbstractThe coordination number of the gadolinium atom and bond distances in the crystal of monomeric porphyrinate, [Gd(TPP)acac·8H2O·3TCB] (TCB: 1,2,4‐trichlorobenzene, acac: anion of acetylacetone), were determined by EXAFS method. The Gd atom is eight‐coordinated to the four nitrogen atoms of a tetraphenylporphyrin ring, to the two oxygen atoms of one acetylacetonato anion and to two water molecules with Gd—N=0.232 nm, Gd—O=0.243 nm.
Synthesis of novel N‐aminoethyl cyclic polyamines
Authors: Yong Liu , Guo‐Ping Xue , Cheng‐Tai Wu 
Published: September 2010

AbstractTwo novel cyclic polyamine derivatives bearing double aminoethyl groups have been synthesized. The synthetic intermediate, N‐p‐toluenesulfonyl‐aziridine, was prepared employing an improved procedure.
Synthesis and photoreaction of polymethylenediamine bis(4‐methyl‐7‐coumarinyl)oxyacetic amides
Authors: Da‐Ming Du , Ling‐Ping Zhou , Yong‐Mei Wang , Ji‐Ben Meng 
Published: September 2010

AbstractA series of polymethylenediamine bis(4‐methyl‐7‐coumarinyl)oxyacetic amides have been synthesized and their intramolecular photochemical cyclodimerizations have been investigated. It was found that only syn‐HT configuration products were obtained when these bisamides were directly irradiated in dimethyl sulfoxide solution and the yields of the products decreased with the increase of the chain length. The structures of long chain amides and their intramolecular photocyclization products were determined by IR, MS, 1H NMR and elemental analysis.
Synthesis and fluorescent properties of bis‐salicyloyl hydrazide metal complexes of some group IV ions
Authors: Dong‐Dong Mn , Jian‐Feng Zhai , Zhi‐Wen Wang , Yu‐Quan Shen 
Published: September 2010

AbstractFour novel organometallic compounds containing tin(IV), titanium(IV) and zirconium (IV) ions were synthesized and strong fluorescent emission was observed from two tin(IV) complexes.
Photoinduced energy transfer and charge transfer on squarylium cyanine dyes
Authors: Wei Zhao , Bao‐Wen Zhang , Yuan‐Jun Hou , Yi Cao 
Published: September 2010

AbstractA series of squarylium cyanine dyes (Sqs) were synthesised to explore their applications in functional devices. Preliminary investigation on the mechanism involved in these devices was carried out. Spectroscopic behavior of Sqs with porphyrin (P), 8‐hydroxyquinolium aluminum (Alq) and ruthenium bipyridyl complex (Ru(bipy)) in solution, in film and on nanocrystalline TiO2 was investigated, respectively. A mechanism including photoinduced energy transfer and charge transfer processes was suggested in the corresponding practical devices. By means of doping, a red organic electroluminescent device (ELD) using Sq‐doped Alq as the emission layer (EML) has been developed, and the total light to electricity efficiency of nanocrystalline TiO2 electrode based on using Sq‐doped Ru(bipy) M photosensitizer has been improved greatly in the whole visible region, particularly in the red area above 600 nm.
Coupling matrix element of electron self‐exchange reactions in solution
Authors: Yu‐Xiang Bu , Cheng‐Bu Liu , Cong‐Hao Deng 
Published: September 2010

AbstractOn the basis of the common feature among the electron transfer process and the ion hydration process as well as the relevant experimental kinetic data of electron trader reaction, a new accurate hydration potential function scheme for the determination of electron transfer coupling matrix element is presented. The coupling matrix element between two hydrated ions of the reacting system in solution is calculated. The results and the applicability of this scheme are discussed.