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中文
Table of Content
24 December 1998, Volume 19 Issue 12
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Articles
Investigation of Photoelectric Conversion from an Novel Charge Transfer Compound of a Hemicyanine Dye Containing Zinc Complex Anion
LANG Ai-Dong, HUANG Chun-Hui, GAN Liang-Bing
1998, 19(12): 1881-1885.
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Anew type of charge transfer complex of a hemicyanine dye containing zinc complex anion:[(CH
3
)
2
NC
6
H
4
CHCH C
10
H
6
NC
18
H
37
]
2
Zn(dmit)
2
(where dmit=4,5-dimercato-1,3-dithiole-2-thione)(A
2
S) has been studied on its LBfilm property and photoelectric conversion from its LBfilm modified ITOelectrode compared with a hemicyanine dye iodide: (CH
3
)
2
NC
6
H
4
CHCH C
!0
H
6
NC
18
H
37
I(AI). The results show that the quantum yield of A
2
Sis 1.8-fold increased in comparison with that for AI. This can be explained by the fact that when the conductive zinc complex anion is used to replace I - to form hemicyanine complex, the LBfilm property can be improved and also the charge separation of the hemicyanine dye become more effective. This kind of compound can be evaluated as a promising photoelectric conversion material.
The Solubilities of La(ClO
4
)
3
-OCBAAP-H
2
O System(30 ℃) and Syntheses and Characterization of Ln(OCBAAP)
4
(ClO
4
)
3
·nH
2
O
LIANG Hong-Bin, TANG Zong-Xun
1998, 19(12): 1886-1890.
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The solubilities of ternary system La(ClO
4
)
3
-OCBAAP[4-(o-chlorobenzoyl) aminoantipyrine, C
18
H
16
N
3
O
2
Cl]-H
2
Oat 30 ℃ were determined. The new solid phase (incongruent compound), La(OCBAAP)
4
(ClO
4
)
3
·6H
2
O, was discovered in the system. Based on the solubility diagram, the synthesis condition was defined, and compounds Ln(OCBAAP)
4
·(ClO
4
)
3
· n H
2
O(Ln=La, n =6; Ln=Pr, Nd, Sm, Gd, Yb, n =2) were synthesized. The compounds were characterized by chemical analysis, elemental analysis, TG DTG, IRspectra and density respectively. Apparent activation energy of thermal decomposition of La(OCBAAP)
4
(ClO
4
)
3
has been calculated.
Hydrothermal Synthesis and Crystal Structure of the Sodium Vanadyl Phosphate NaVPO
5
PANG Guang-Sheng, FENG Shou-Hua, XU Ru-Ren, Hong Mao-chun
1998, 19(12): 1891-1894.
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Dark red single crystal of sodium vanadyl phosphate NaVPO
5
has been synthesized by hydrothermal synthesis method and its structure has been characterized by single-crystal X-ray methods. It crystallizes in monoclinic space group P2
1
/c with a =06527(2) nm, b =0.8462(2) nm, c =0.7120(2) nm, β =1.1523(3)°, V =0.33570 nm
3
, Z =4. The strutrure was solved by Direct Method and refined by the least saqures with R =0057 and R
W
=0.062. The structure can be described as a “VPO
5
” framework which is build up from corner sharing VO
6
octahedron parallel to the c axis. Each PO
4
tetrahedron shares its corners with four VO
6
octahedron, two of them belong to the same chain, and each VO
6
octahedron share its corners with four PO
4
tetrahedron and two VO
6
octahedron.
Organometallic Chemistry of Polyanions(Ⅲ)——Syntheses,Characterization and Properties of Estertin Heteropoly Complexes of PW
9
O
34
9-
with Lacunary Keggin Structure
ZHU Dong-Sheng, XU Lin, HU Chang-Wen, ZHANG Hong-Ye
1998, 19(12): 1895-1899.
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Six new heteropoly anion-organometallic complexes M
9
(R'OOCCHR″CH
2
SnOH
2
)
3
·(PW
9
O
34
)
2
]· x H
2
O(M=(CH
3
)
4
N
+
, K
+
; R'=CH
3
_, CH
3
CH
2
_; R″=H, CH
3
_ ) have been synthesized by reaction of estertin with Na
8
HPW
9
O
34
. The products were characterized and their properties were studied by elemental analysis, IR, UV,
1
HNMR,
31
P NMR,
183
W NMRand TGA-DSCmeasurements. The sandwich structure of A, β-PW
9
type for these complexes were determined.
Assembly of Function Materials in Zeolites by Hydrothermal Synthesis Method
GUO XING Ba-Tu, XIAO Feng-Shou, XU Ru-Ren
1998, 19(12): 1900-1903.
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By using hydrothermal synthesis methods, a series of materials such as ZnS, MoO
3
and organic metallic compounds were assembled into the pores of zeolites, forming the function materials with nanometer size, which have been investigated by XRD, IR, adsorption, ultraviolet diffusion reflection and emission spectroscopy techniques.
Progress in Zinc Finger Protein Studies
HUANG Zhong-Xian, LIU Yu-Qi
1998, 19(12): 1904-1914.
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Progresses in zinc finger protein studies were reviewed in this paper. The main attention were paid on the latest results and methods of structure function relationship. Forty four references were included in this summary.
Rare Earth Complexes with Ge-132 and Their Catalytic Hydrolysis to Phosphatide Bond of Mononucleotide
WANG Zhi-Qiang, CHEN Ji, ZHU Bing, ZHANG Shu-Gong
1998, 19(12): 1915-1917.
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The complexes of a series of rare earths with Ge-132 have been prepared. The carboxyl anions of Ge-132 molecule were coordinated to rare earth ion with chelate style. In the complexes molecule, the GeO
3/2
group of Ge-132 were hydrolyzed to become Ge(OH)
3
group, and later does not coordinate with rare earth ions. All of the complexes possess similar properties. In aqueous solution of pH6 and 50 ℃, these complexes can obviously selectively catalytically hydrolize the phosphatide bond of 5'-AMPand 5'-dAMPinto phosphatic acid and riboside.
Hydrothermal Synthesis and Phase Transition of Hexagonal Phase NaYF
4
ZHANG Wen-Tao, XU Xiu-Ting, ZHAO Chun-Yan, ZHU Lian-Jie, FENG Shou-Hua, XU Ru-Ren
1998, 19(12): 1918-1919.
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In this paper, we present the hydrothermal synthesis of the complex fluoride NaYF
4
with a low temperature hexagonal phase, which as a precusor, could be transformed into a high temperature cubicphase.
Studies on Inhibition of Enzymic Activity on ATPase of Carp Tissues and QSARs
XU Jing-Bo, Jing Ti-song
1998, 19(12): 1920-1924.
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c
I50
values of 20 nitroaromatic compounds to the enzymatic activity of ATPase of carp gill and kidney were measured in vitro. The quantitative structure activity relationship (QSAR) studies were carried out with the -lg c
I50
values of 20 nitroaromatic compounds to the enzymatic activity of ATPase of carp gill and kidney using the octanol/water partition coefficients lg P, the first order valence molecular connectivity index
1
X
Ⅴ
, the indicator variable I, the molecular shape index
1
K
a
, the sum of substituent constant ∑σ
-
, and the energy of the lowest unoccupied orbital E
LUMO
as variables. The results showed that the ∑σ
-
, Iand E
LUMO
were closely correlated with toxicity of nitroaromatic compounds to ATPase of carp tissues, and yield satisfactory QSARs equation. Some toxicity mechanisms by nitroaromatics are also disscussed in this paper.
Studies on Reducing Sugar in Honey by Flow Injection Spectrophotometry
XU Han-Ying, WANG Ke-Min
1998, 19(12): 1925-1928.
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Based on lowering the temperture and shortening the time of reaction between the reducing sugar and K
3
Fe(CN)
6
, a flow injection spectrophotometry for the high content reducing sugar in honey was established. In comparison with titration and flow injection spectrophotometry, the latter is more convenient and rapid. The sampling frequency is 70~80 times per hour. Using the method to determine some honey, the reaults are satisfactory.
Electrochemical Characterization of Iron(Ⅱ) and Ruthenium(Ⅱ)1,10-Phenanthroline Complexes on MCM-41 Mesoporous Molecular Sieve Modified Electrode
JIANG Yan-Xia, ZOU Ming-Zhu, SONG Wen-Bo, LIU Ying, LV Nan, XU Hong-Ding, CAO Xi-Chuan
1998, 19(12): 1929-1932.
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Electrochemical behavior of 1,10 phenanthroline complexes of iron and ruthenium, entrapped in MCM-41 mesoporous molecular sieve, was studied. The complexes entrapped had three quasi irreversible redox processes correspondent to those having different coordination number, respectively; the complexes dissolved in aqueous solution had only a reversible redox process. The complexes entrapped could partly be dissociated due to hydroxyls in MCM-41 molecular sieve possessing high activity. The experimental results demonstrated that hydroxyls could act as ligand to coordinate with central ion, meanwhile original complexes were partly dissociated.
A Novel Synthesis of Acridinium Ester as a Chemiluminescent Immunoassay Reagent
ZHUANG Hui-Sheng, WANG Qiong-E, CHEN Guo-Nan, ZHANG Fan
1998, 19(12): 1933-1936.
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Anovel synthesis of acridinium ester as a chemiluminescent immunoassay reagent was designed in this paper. This novel synthesis involved the production of acridine-9-carboxylic acid from diphenylamine, the acridine-9-carboxylic acid was converted to acridine-9-carbonylchloride, and reacted with 4-(2-Nsuccinimdyloxycarbonylethyl) phenol, to produce 4-(2-succinimdyloxycarbonylethyl) phenyl-9-acridine carboxylate, this is followed by conversion to 4-(2-succinimdyloxycarbonylethyl) phenyl 10-methylacridinum-9-carboxylate fluorosulfonate(so called acridinium ester).
The Suppression of Ge-132 on the Maillard Reaction of BSA by Fluorescence Spcectrum
CHEN Ji, MA Gen-Xiang, LI Xiao-Jing, ZHANG Shu-Gong, LI De-Qian
1998, 19(12): 1937-1939.
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The fluorescences of BSAand glycosylated BSAwere observed respectively. The λ
em
of BSAwas 340 nm; while the λ
em
of glycosylated BSAwas 436 nm. Because the fluorescence spectra of them were different greatly, we can observe the suppression of Ge-132 on the Maillard reaction of BSAwithout any interference of itself. It was showed that the fluorescence intensity of glycosylated BSAincreased continuously with the cultured time, Ge-132 may suppress the Maillard reaction of BSAgreatly, and the suppressing efficicency would be 32%. The key site of the Maillard reaction of BSAis free amino groups of alanine residues on Nterminal amino group, besides the ε- amino groups of intrachain Lysine residues.
Studies on the Application of Spline Least Square Method to Capillary Electrophoresis
XIE Tian-Yao, MO Jin-Yuan, YANG Xiao-Yun
1998, 19(12): 1940-1942.
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The Spline Least Square Method(SLSM) was applied to deal with the capillary electrophoresis graph containing a strong white nosie. The mathematical principle of SLSMwas introduced and the parameters, spline order k and filter length L, which affect the results directly, were discussed. Acapillary electrophoresis system with amperometric detector, micro Pt electrode as the working electrode, was demonstrated by running several phenols compounds in 50 μm×75 cm capillary. It shows SLSMhas a great applicability to handle complex graph with a strong white noise, and can give acceptable result even if the niose is as strong as the signal.
Studies on Electrocatalytic Oxidation of Catechols and Ascorbic acid on the Polymeric Heme Film Modified Electrode
BAI Yan, MO Jin-Yuan, CHENG Qiang, ZHOU Yan-Hui
1998, 19(12): 1943-1945.
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The polymeric heme film modified glassy carbon electrode (polyheme/GC) was prepared by cyclic voltammetry. The electrochemical behavior of catechols (catechol, dopamine, epinephrine) and ascorbic acid on the polyheme/GCelectrode has been investigated. The polyheme/GCelectrode has a good electrocatalytic oxidation to catechols and ascorbic acid. On the polyheme/GCelectrode, the oxidation peak currents of catechols and ascorbic acid increase and the oxidation peak potentials of catechols and ascorbic acid shift negatively about 180 mVand 370 mV,respectively, comparing with that on the GCelectrode. In the mixed solution containing catechols and ascorbic acid, the two oxidation peaks could be separated about 130 mVon the polyheme/GCelectrode.
Studies on Bio-rational Design of Photosystem Ⅱ Inhibitors(Ⅴ)——Synthesis and Hill Inhibitory Activities of Ethyl Arylamideacrylates and Pyrimidone
LIU Hua-Yin, YANG Guang-Fu, TAN Hui-Fen, YANG Hua-Zheng, LAI Lu-Hua
1998, 19(12): 1946-1949.
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Based on target's structure and using bio rational molecular design, the title compounds have been designed and synthesized. The structure of pyrimidone 3a was confirmed by X-ray. Their Hill inhibitory activities were tested, and it was found that some of them showed good inhibition.
Comparative Molecular Field Analysis of Triazolopyrimidine Sulfonaniline Herbicides
REN Tian-Rui, CHEN Hong-Ming, XIE Gui-Rong, ZHOU Jia-Ju, CHEN Fu-Heng
1998, 19(12): 1950-1953.
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Triazolopyrimidine herbicides are a new kind of high efficiency ones with acetolactate synthase(ALS) as target. Comparative molecular field analysis(CoMFA) was applied to study the action mode of triazolopyrimidine herbcides on ALS. The QSARresults give the rational reasons to infer a possible binding mode between the inhibitors and ALS, and help to design new inhibitors
Studies on Reaction of α-Aminoalkylphosphonic Diphenyl Ester and Norcantharidin,5,6-Dehydronorcantharidin and exo-bicycio[2.2.1]hept-5-ene-2,3-dicarboxylic Anhydride
ZHOU Zheng-Hong, CHEN Ru-Yu
1998, 19(12): 1954-1958.
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Aseries of α-aminoalkylphosphonate derivatives of norcantharidin, 5,6-dehydro-norcantharidin and exo-bicyclo [2.2.1] hept-5-ene-2,3-dicarboxylic anhydride were synthesized by the condensation of α-aminoalkylphosphonic diphenyl ester with norcantharidin, 5,6-dehydro norcantharidin and exo bicyclo [2.2.1] hept-5-ene 2,3-dicarboxylic anhydride, and their structures were confirmed by
1
HNMR, MS, IRand elemental analysis.
Enantioselective Esterification of Ketoprofen by Immobilized Lipase in Mixed Solvent Systems
LIU Jun-Min, XU Jian-He, LIU You-Yan, XU Xue-Shu, YUAN Qin-Sheng
1998, 19(12): 1959-1963.
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Enantioselective esterification of racemic ketoprofen[2-(3-benzoylphenyl) propionic acid] was carried out in organic solvents by using celite adsorbed lipase as the catalyst. Factors influencing the activity of the immobilized lipase had been investigated. Among the seven lipases examined, the esterification activity of Lipase OF(from Candida rugosa) was the highest; the activity of immobilized lipase was improved as compared with free lipase; the optimum volume of buffer(0.1 mol/L Na
2
HPO
4
NaH
2
PO
4
, pH7.0) for enzyme immobilization was 1m Lpergram lipase. Among the acyl receptors such as methanol, ethanol, n-propanol, n-butanol, noctanol, iso propanol and 2-ethylene chlorohydrin, n propanol was the best; In the mixed solvent system composed of a main solvent and a cosolvent, the esterification activity of lipase was higher than that in the single solvent system composed of the corresponding main solvent or cosolvent. The esterification activity of lipase was the highest when using cyclohexane or iso-octane, both of which have high lg Pvalues, as main solvents and toluene as cosolvent.
Studies on Synthesis and Properties of Some New Dibenzocyclobromonium Salts
SUN Hai-Ying, HOU Zi-Jie, CAI Li-Ping, KANG Yong-Feng, ZHAO Zheng-Rong
1998, 19(12): 1964-1969.
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Some new 3,7-disubstituted dibenzocyclobromonium salts were synthesized from 4,4'-disubstituted biphenyls(or 4,4'-disubstituted diphenylmethane). The reactions of some 3,7-disubstituted dibenzocyclobromonium salts with both KBH
4
and NaN
3
were studied. The primary products were 2-bromo-4,4'-disubstituted biphenyls(or 2-bromo-4,4'-disubstituted diphenylmethane) and 2-azide-2'-bromo-4,4'-disubstituted biphenyls(20a—20d) respectively. Thermal reaction of compounds 20a—20d gave corresponding polysubstituted carbozoles(21a—20d).
The Synthesis and Biological Activity of Diethyl N-(2-Benzothiazolyl)-α-aminoalkylphosphonate
LI Zai-Guo, HUANG Run-Qiu, YANG Zhao, LI Hui-Ying
1998, 19(12): 1970-1974.
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Twenty diethyl N-(2-benzothiazolyl)-α-aminoalkylphosphonates were synthesized by addition of diethyl phosphite to the corresponding imine. The reaction phenomenon was explained by a concerted 3+2 mechanism. The atomic charge of imine was calculated by quantum chemistry(MINDO/3) and the effect of substitutes on the formation of pentacyclic transition state was discussed. Some compounds showed a very good inhibitory effect against tobacco mosaic virus(TMV) and herbicidal activity.
Studies on Antigenic Peptides of Glutathione S-Transferase Sm26/2 of Schistosoma Mansoni
XU Jia-Xi, CAI Meng-Shen
1998, 19(12): 1975-1978.
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According to the hydrophilicity, flexibility, accessibility, charge distribution and β-turn in the secondary structure by the determination of the primary structure, six antigenic peptides of 26000 glutathione S-transferase, Sm26/2, of schistosoma mansoni have been predicted by using programs Goldkey and PC-Gene with the aid of computer. They were synthesized by using solid phase method. Two of them showed a good antigenicity by Dot ELISAmethod with anti schistosoma japonicum-immunoglobulin polyclonal antibody, anti Sj-IgG PcAb. One of them also showed good antigenicity with the anti-schistosoma surface membrane monoclonal antibody, A6McAb. They would be as candidate peptides of synthetic peptide vaccine against schistosomiasis.
Novel Synthesis of Diethyl(1-naphthylmethyl)-tetrahydrofurfurylmalonate
ZHOU Zhi-Ming, CHEN Nan
1998, 19(12): 1979-1981.
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An important precursor of nafronyl oxalate, diethyl(1-naphthylmethyl)-tetrahy-drofurfurylmalonate(Ⅴ) has been synthesised by using diethyl malonate(Ⅰ), furfural(Ⅱ) and 1-(chloromethyl) naphthalene as starting materials. Anew catalyst system, NaH/DMF, is applied to the alkylation of naphthylmethyl chloride and diethyl tetrahydrofurfurylmalonate(Ⅳ) with satisfactory results. Compared with previous methods, it has a higher yield and shorter reaction time. Other alkylation catalysts are investigated as well.
Theoretical Investigation on the Double Cages Carbonyl-compound C
120
CO
TIAN Wei-Quan, FENG Ji-Kang, REN Ai-Min, GE Mao-Fa, HUANG Xu-Ri, LI Zhi-Ru, SUN Jia-Zhong
1998, 19(12): 1982-1986.
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The double cages carbonyl compound C
120
COwas investigated with INDOseries. The results show that the Oatom in C
120
COhas a large electronic negativity, and might form hydrogen bond at this site. The intramolecular electron transfer was large in this molecule so that it should have a large non linear optical coefficence. The electronic spectra of C
120
COwas smillar to those of C
120
CH
2
and C
120
O.
Diffusion Behavior of Ethanol in Epoxy/Urethane Acrylate Resin Interpenetrating Polymer Network (Ⅱ)——Heterogeneous Transport Model and Application
HUA Feng-Jun, LI Jun, HU Chun-Pu, LIU Hong-Lai, HU Ying
1998, 19(12): 1987-1991.
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Aheterogeneous transport model for the diffusion of ethanol in epoxy resin(epoxy)/urethane acrylate resin(UAR) SINfilms has been established. The experimental results show that over the mass composition ratio range of epoxy and UARfrom 100/0 to 50/50, the SINs exhibit the clear phase separation morphology and the absorption curves measured can be correlated well enough with such a heterogeous transport model. The correlating factor Ψ is expressed as the degree of dispersion for the dispersion phase. With the increase of UARcontent in SIN, factor Ψ increases, which shows the increase of the degree of dispersion of UARnetwork in epoxy continuous phase as consistent with the TEMobservation. The SINwith the mass composition ratio of 50/50 shows a dual continuous morphology, and its correlating factor Ψ increases appreciably.
Studies On the Stability of Group Ⅱ B Metal Ion-α-amino Acids-diketooxime Ternary Systems
ZHANG Yao-Shan, WANG Zhong-Ming, LIN Hua-Kuan, ZHU Shou-Rong, SUN Hong-Wei, WANG Deng-Guo, CHEN Rong-Ti
1998, 19(12): 1992-1996.
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The protonation constants of 3,3,9,9-tetramethyl-4,8-diazaundecane-2,10-dioxime(PnAO) and six α-amino acids, the stability constants of Zn(Ⅱ), Cd(Ⅱ), Hg(Ⅱ) PnAO, Zn(Ⅱ), Cd(Ⅱ), Hg(Ⅱ)-α-amino acids binary complexes and Zn(Ⅱ), Cd(Ⅱ), Hg(Ⅱ)-PnAO-α-amino acids ternary complexes have been determined by pHtitration method at (35±0.1) ℃, I =0.1 mol/L KNO
3
. The results show that the Linear Free Energy Relationship(LFER) has been found to exist between the protonation constants of α-amino acids and the corresponding stability constants of Zn(Ⅱ), Cd(Ⅱ), Hg(Ⅱ) PnAO-α-amino acids ternary system. The cause of existence of LFERhas been discussed by means of the stereo structures of the ternary complexes. The trend of change of the stability for the title systems is governed by the sequence Zn(Ⅱ)>Cd(Ⅱ)<Hg(Ⅱ), and the internal cause has been discussed in terms of the charge/radius effect and ionization potential of the metal ions.
Electronic Structure and Properties of Hypervalent Compounds OLi
4
N+
and NLi
4
N+
ZHENG Xiang-E, WANG Zhi-Zhong
1998, 19(12): 1997-2000.
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The geometries of hypervalent compounds OLi
4
N+
and NLi
4
N+
were optimized by HF, MP2 and DFTmethods with 6-31G
*
basis set. The results show that OLi
4
N+
and NLi
4
N+
are more stable with respect to losses of Li
2
and Li. The reliable dissociation energies were obtained. For NLi
4
the dissociation energies of loss Li and Li
2
are predicted as 191.78 and 515.37 kJ/mol, respectively.
Theoretical Study on the Cycloaddition Reaction of Germylene and Formaldehyde
LU Xiu-Hui, WANG Yi-Xuan, LIU Cheng-Bu
1998, 19(12): 2001-2004.
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The mechanism of singlet germylene and formaldehyde's cycloaddition reaction heve been studied by using ab initio method. We obtained the intermediate complex and transition state of this reaction, and then discussed the mechanism of the reaction. On the basis of ab initio and with the statistical thermodynamics method and transition-state theory we have calculated the reaction's change of thermodynamic functions and the quality of kinetic properties at different temperatures. The results show this reaction proceeds with two steps: (1) germylene and formaldehyde form an intermediate complex, which is a kind of exothermal reaction with no barrier; (2) the isomerized intermediate complex becomes the product, which after being corrected by zero-point energies, the barrier of reaction is 69.6 kJ/mol(MP2/3-21G//3-21G). On account for dynamics and thermodynamies, it is found that the reaction will not only have the larger sponlaneous tendency and equilibrum constants, but also the quicker reaction rate in the range of 400 K~500 K.
Effects of Zeolite Structure on the Catalytic Performance of Catalysts for Methane Non-oxidative Aromatization
LI Shuang, ZHANG Chun-Lei, YUAN Yi, PENG Yan-Bing, WU Tong-Hao, ZHANG Mi-Lin, LIN Li-Wu
1998, 19(12): 2005-2008.
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The catalytic performance for methane aromatization in the absence of oxygen over various supported zeolite catalysts was studied on a continuous flow fixed bed reactor. It is found that H-form silica-alumina zeolites with two dimensional space structure, such as ZSM-5, ZSM-8 and ZSM-11 whose pore size is very near to the dynamic diameter of benzene (06 nm), are fine supports for methane aromatization, among which 3%MoO
3
/HZSM-11 possesed the highest activity and stability, the maximum conversion of methane and selectivity to benzene are 8.0% and 90.9% respectively. The catalytic performance of MoO
3
/HZSM-8 and 3%MoO
3
/H-β are relatively lower than that of 3%MoO
3
/ HZSM-5. The catalysts supported on HMCM-41 and HSAPO-34 have a very low activity for the reaction and over the catalysts of MoO
3
/HMOR, HX and HY only a small amount of ethylene is produced, while hydrocarbons have not been detected over the catalysts of MoO
3
/HSAPO-5 and MoO
3
/HSAPO-11.
Synthesis and Crystal Structure of the Charge Transfer Complex [N-(2-Tosylamidoethyl)-aza-12-crown-4]·IHCCl
3
WAN Jia-Yi, LIU Jie, QIN Sheng-Ying
1998, 19(12): 2009-2012.
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The title complex A· IHCCl
3
A=CH
3
C
6
H
4
SO
2
NHC
2
H
4
(NC
8
H
16
O
3
) has been prepared and characterized by X-ray diffraction, IRand
1
HNMR. The C-H…Ihydrogen bond length equals 0.389 nm. It crystallizes in monoclinic system and space group P2
1
/n with unit cell paramers: a =0.7364(7) nm, b =1.6732(0) nm, c =2.1413(6) nm, β =99.09(1)°, Z =4, V =2.6055(5) nm
3
and R
1
=0.0479, R
2
=0.0424.
Surface Modification of Semiconductor Photocatalyst
WANG Chuan-Yi, LIU Chun-Yan, SHEN Tao
1998, 19(12): 2013-2019.
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The progresses in the surface modification of semiconductor photocatalyst, concerning the types, mechanisms and effects, are reviewed. The modification methods are followed into: (1) dye sensitization, (2) composite of semiconductors, (3) metal deposition and (4) ions modifying. They are compared, and the improvements are proposed.
Studies on Preparation of Poly(PV-CO-DMeOPV) and Its Characteristic of PL and EL
HUANG Zong-Hao, TONG La-Ga, WANG Xiu-Jun, BAI Yong-Ping, QIU Yong-Qing, LIU Ze, LIU Yang, SONG Jun-Feng, CHEN Li-Chun, WANG Xiang-Jun, DU Guo-Tong, WANG Rong-Shun
1998, 19(12): 2020-2022.
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In this contribution, how to prepare the electroluminescence materials of Poly(PV-co-DMeOPV) based on Wessling solutable precusor route was described. The determined spectrum shapes of the PLand ELof co-polymer having 1: 1 mole ratio all are single peak type, and different from the double-peak shapes of PLand ELspectra of PPV. And the emissive maximum magnitudes of PLand ELof above co-polymer are 520 nm and 570 nm, respectively. The PLpeak lies on about middle position between
515
nm and 601 nm which are the PLshort-wave peaks of PPVand PDMeOPV, respectively. For the sake of discussing the influence of co-polymerization on luminescence property of co-polymer, the EHMACC/CO(Crystal Orbital) program is used to calculate the energy bands of PPV, PDMeOPVand 1: 1 molar ratio co-polymer. The results show that due to the p-π conjugation between the OCH
3
and the main chain, the energy gap of co-polymer decreases, and the emission spectrum is red-shift; this kind of effect will become stronger and stronger with the increasing of OCH
3
number on the conjugative chain.
A Theoretical Study of the Reaction Mechanism of the Biradical CH
2
and O
3
HU Hai-Quan, LIU Cheng-Bu
1998, 19(12): 2023-2025.
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The reaction mechanism of the singlet biradical CH
2
and O
3
has been studied by using ab initio method at HFlevel with 6-31G(d) basis set. The mechanism reveals that the reactant molecules are combined first to an energy-enriched intermediate, and then the intermediate is decomposed to CH
2
Oand O
2
. The reaction is exothermic by 697.12 kJ/mol.
NMR Studies of Gd(DTPA-BIN)in Human Serum Albumin Solution
LI Xin-Yu, ZHANG Shan-Rong, JING Feng-Ying, WU Yi-Jie, PEI Feng-Kui
1998, 19(12): 2026-2028.
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Stable gadolinium complexes, such as Gd(DTPA) and Gd(DOTA), are usually used as the contrast agents for magnetic resonance imaging(MRI). Reported here are the enhanced relaxation properties of a novel gadolinium complex, diethylene triaminopentaacetate bis(isoniazid) Gd(DTPA BIN), in aqueous and in human serum albumin(HSA) solution, which indicates that (1) two Gd(DTPA BIN) can integrate non covalently with one HSAwith an equilibrium constant of 0.02 mmol
-2
·L
2
; (2) the relaxivities are 3.28 and 4.92 mmol
-1
·L·s
-1
for the free Gd(DTPA BIN) and the Gd(DTPA BIN)
2
HSAconjugator, respectively; (3) the rotational correlation time of protein conjugator is notably higher than that of the free complex. The above results may imply that Gd(DTPA BIN) has a higher tissue selectivity than that of its parent Gd(DTPA).
Synthesis of Cyclic Aryl Ether Sulfone Oligomers Through Interfacial Polycondensation Method
QI Ying-Hua, CHEN Tian-Lu, JIANG Hong-Yan, LI Hai-Bo, XU Ji-Ping
1998, 19(12): 2029-2031.
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Novel cyclic aryl ether sulfone oligomers have been synthesized in high yield based on bisphenol Aand 4-fluoro-3-nitrophenyl sulfone firstly through interfacial polycondensation reaction under a pseudo-high-dilution condition. Detailed structural characterization of the oligomers by MS, GPC, NMRand IRanalyses confirmed the cyclic nature.
Viscometrical Determination of Effective Adsorbed Layer Thickness of Macromolecules on Glass Surface
YANG Yu, YAN Xiao-Hu, CHENG Rong-Shi
1998, 19(12): 2032-2033.
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Anewly developed theory about solute adsorption effect in viscometry of polymer solution was reviewed and extended for measuring the adsorbed layer thickness. Examples were given for the characterization of six polystyrene samples with different molecular weights by measuring their solution viscosity in benzene.
Phase Transition Temperatures of Side Chain Liquid Crystal Polymer from Molecular Dynamics Simulation
LUO Jun, TAN Su-Sheng, ZHOU En-Le
1998, 19(12): 2034-2035.
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In this paper, phase transition temperatures of side chain liquid crystal polymer were predicted by molecular dynamics simulation. We analyzed the change of energy and the degree of similarity(S) with the temperature varying. The simulated phase transition temperatures agree with the experimental values in a proper deviation.
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