1994 Volume 10 Issue 1

Adsorption of Na+ onto γ-Alumina Studied by Solid-state 23Na and 27Al NMR Spectroscopy
Deng Feng , Du You-Ru , Ye Zhao-Hui , Kong Yu-Hua
1994, 10(01): 1-5  doi: 10.3866/PKU.WHXB19940101
[Abstract](3701) [FullText HTML] [PDF 805KB](2193)
Abstract:

The adsorption of Na~+ on γ-alumina surface at four coverages of Na_2CO_3 (5%, 10%, 15%, and 20% wt/wt) was characterized by solid-state ~(23)Na and ~(27)Al NMR spectroscopy. The experimental results suggest that two distinct adsorbed species are pre...

Alrylation Over Layered Double Hydrotalcites Pillared by Heteropolyoxometalate Catalysts
Xu Zheng , He He-Ming , Jiang Da-Zhen , Wu Yue
1994, 10(01): 6-8  doi: 10.3866/PKU.WHXB19940102
[Abstract](3539) [FullText HTML] [PDF 496KB](2276)
Abstract:

Layered double hydroxides (LDHs) pillared with heteropolyoxo-metalate have been synthesized via both restructuring of hydrotalcite-like compounds and direct anion exchange under microwave field. LDHs and their derivatives are both found to be efficie...

A Mass Spectra Study of Carbon Nanotube Plasma Produced by Laser
Lü Jian-Zhong , Zhu Lei , Song Jie , Li Yu-Fen , Huang Feng , Huang Rong-Bin , Zheng Lan-Sun
1994, 10(01): 9-11  doi: 10.3866/PKU.WHXB19940103
[Abstract](3124) [FullText HTML] [PDF 3592KB](2267)
Abstract:

The time-of-flight mass spectra of carbon nanotube plasma produced by laser was first investigated in this paper. We found the hemi-spherical tips of carbon nanotube were easily fragmentated and aggregated into fullerenes between Coo arid C_(174) in ...

Theoretical Study on the Substituent Effect of the Elimination of Hydrogen Fluoride from Ethyl Fluoride-2
Li Qing-Ming , Fang De-Cai , Fu Xiao-Yuan
1994, 10(01): 12-14  doi: 10.3866/PKU.WHXB19940104
[Abstract](2792) [FullText HTML] [PDF 2428KB](2148)
Abstract:

The substituent effect of the 1-1 elimination reaction of hydrogen fluoride from ethyl fluoride have been studied by ab initio method at the HF/3-21G level. The reactants are CH_3CH_2F, CH_3CHF_2, CH_2FCH_2F, CH_3CH_2CH_2F, CH_3CHFCH_3, CH_3CHFCN, CH...

An EXAFS Study on Support Effect of NiO Dispersion State
Cai Xiao-Hai , Liu Ying-Jun , Liu Zhi-Wei , Xie You-Chang
1994, 10(01): 15-18  doi: 10.3866/PKU.WHXB19940105
[Abstract](3361) [FullText HTML] [PDF 5041KB](2367)
Abstract:

The NiO dispersion phase on three different supports have been studied by EXAFS in combination with XRD quantitative phase analysis. The result of XRD shows the threshold of NiO/γ-Al_2O_3 system is larger than that of NiO/TiO_2 system and the thresho...

Energy Transfer Reaction of Metastable CO(α3П) Molecule with CN Radical
Ni Jin-Zhi , Li Shu-Tao , Chu Yan-Nan , Hu Yi-Hua , Cao De-Zhao
1994, 10(01): 19-21  doi: 10.3866/PKU.WHXB19940106
[Abstract](3109) [FullText HTML] [PDF 2951KB](2132)
Abstract:

Energy-transfer reaction from metastable CO(a~3П) molecule to CN radical has been studied in a room-temperature flow reactor. The CN (B-X, △v=0, ±1, ±2) violet emission bands were obtained. The △v=0 sequence of CN(B) were analyzed by computer simulat...

Theoretical Study on the Thermal Decomposition of 2-nitropropene
Ji Yong-Qiang , Fu Xiao-Yuan
1994, 10(01): 22-25  doi: 10.3866/PKU.WHXB19940107
[Abstract](3065) [FullText HTML] [PDF 3901KB](2557)
Abstract:

The thermal decomposition of 2-nitropropene has been studied by using the quantum chemical method LCAO-MO-AM1. The result obtained indicates that 2-nitropropene may be decomposed via a stepwise process. In the first step, a four-membered ring interme...

Theoretical Investigation of the Topochemical Polymerization of Diacetylenes in Solid Phase and the Side-group Effect on the Reactions
Yan Shun-Qi , Zhang Qi-Yuan , Yan Ji-Min
1994, 10(01): 26-32  doi: 10.3866/PKU.WHXB19940108
[Abstract](2953) [FullText HTML] [PDF 7430KB](2315)
Abstract:

The EHCO-ASED method has been used to investigate the reaction mechanism and the effect of side group (R) on it for the following thermal polymerization of diacetylenes in solid phase: MDA→PBT→PDA (R=Li, CH_3, F). The calculated results reveal that t...

FT-IR Emission Spectroscopic Studies of Surface Structure of V2O5/TiO2 Catalyst
Li Can , Zhang Hui , Wang Kai-Li , Xin Qin
1994, 10(01): 33-37  doi: 10.3866/PKU.WHXB19940109
[Abstract](3391) [FullText HTML] [PDF 6184KB](2329)
Abstract:

FT-IR emission spectroscopy has been used to study the surface structure of V_2O_5/TiO_2 catalyst with V_2O_5 loadings of 0.4%, 2% and 10% wt. prepared by impregnation of TiO_2 in NH_4VO_3 solution. The IR emission spectra were recorded insitu durinb...

Local Equilibrium Assumption and Reaction-diffusion Processes
Li Ru-Sheng
1994, 10(01): 38-43  doi: 10.3866/PKU.WHXB19940110
[Abstract](3170) [FullText HTML] [PDF 6827KB](2325)
Abstract:

As the starting point of the thermodynamic theories of irreversible processes, local equihbrium assumption is usually believed to be applicable to most physicochemical processes under usual conditions. Based on the Boltzmann equation and the stochast...

A Primary Study of the Formation and Photolysis of Tantalum Sulfide Cluster Ions
Zhang Nan , Yu Zhong-De , Wu Xiao-Jun , Gao Zhen , Zhu Qi-He , Kong Fan-Ao
1994, 10(01): 44-49  doi: 10.3866/PKU.WHXB19940111
[Abstract](2944) [FullText HTML] [PDF 6121KB](2270)
Abstract:

Tantalum sulfide cluster ions (Ta_nS_m~+, n≤9, m≤30) were produced by direct laser ablation of a mixture of tantalum and sulfur powders and studied by a tandem timeof-flight mass spectrometer. It was found that the most stable tantalum sulfide cluste...

Effects of Alcohols on the Formation of Uniform Colloidal Particles
Zhang Yu-Ting
1994, 10(01): 50-53  doi: 10.3866/PKU.WHXB19940112
[Abstract](2814) [FullText HTML] [PDF 4416KB](2490)
Abstract:

Alcohols extremely affect the formation of uniform colloidal particles in the hydrolysis of ferric ions for Fe(NO_3)_3-HNO_3 system. The affecting ability of the alcohols decreases by the order: 2-propanol, ethanol, t-butylalcohol, 1-propanol and n-b...

The Effect of 2,2,3,3,4,4,4-Heptafluorobutanol on Surface Activity and Counterion Binding Degree of C7F15COONa Aqueous Solution
Ding Hui-Jun , Dai Qing-Hong , Zhang Lan-Hui , Zhao Guo-Xi
1994, 10(01): 54-60  doi: 10.3866/PKU.WHXB19940113
[Abstract](3346) [FullText HTML] [PDF 7311KB](2276)
Abstract:

The surface and micelle property of C_7F_(15)COONa/C_3F_7CH_2OH aqueous solution are investigated by surface tension, conductance, electromotive force methods. The results show that when adding C_3F_7CH_2OH into C_7F_(15)COONa solution the surface ac...

A Study of Breakdown Process Between n-InP/Solution Interface at Irradiation
Qian Dao-Sun , Zhu Zhen-Hua , Zhao Jun
1994, 10(01): 61-63  doi: 10.3866/PKU.WHXB19940114
[Abstract](3018) [FullText HTML] [PDF 2402KB](2123)
Abstract:

In this work, the tunneling breakdown of n-InP electrode using large signal current density step has been investigated. The influence of current density on the tunneling breakdown is not obvious, but the light intensities affect the breakdown severel...

Crystal Structure of 1:1 Adduct of Glycine and m-nitrobenzoic Acid
Zheng Ji-Min , Che Yun-Xia , Wang Ru-Ji , Wang Hong-Gen
1994, 10(01): 64-68  doi: 10.3866/PKU.WHXB19940115
[Abstract](3524) [FullText HTML] [PDF 4680KB](2254)
Abstract:

The title 1:1 adduct, has been prepared and a large single crystal with dimensions of 5 mm×50 mm×20 mm was obtained by slow-cooling method. It produces the green radiation at 532 nm under the irradiation of Nd~3+: YAG laser beam at 1064nm. The crysta...

Studies on Rheological Behaviours of Aluminum Stearate Benzene Gels
Wang Guang-Xin , Chen Zong-Qi , Wei Jian
1994, 10(01): 69-72  doi: 10.3866/PKU.WHXB19940116
[Abstract](3233) [FullText HTML] [PDF 3979KB](2218)
Abstract:

The effect of temperature on the viscosity for aluminum stearate/benzene gels either with or without benzoic acid has been investigated. The experimental results show that the McAllister's equation can be used to describe the relation between the vis...

Study of Relaxation of Na(110) and Na2O(111) Surfaces
Yang Chang-Sheng , Liu Cheng-Hong , Lan Tian
1994, 10(01): 73-76  doi: 10.3866/PKU.WHXB19940117
[Abstract](2819) [FullText HTML] [PDF 3366KB](2220)
Abstract:

We have studied the relaxation of Na(110) and Na_2O(111) surfaces with LEED, and found that the best agreement between theory and experiment in such a structure, the surface layer distance d=0.291±0.01 nm (contracted 0.34%±0.01 nm) [for Na(110)]; and...

A Quantifide Resonance Theory and its Relation to Mo——Excited State Behaviour of Odd Conjugated Hydrocarbons
Yang Pi-Peng
1994, 10(01): 77-81  doi: 10.3866/PKU.WHXB19940118
[Abstract](3128) [FullText HTML] [PDF 5056KB](2171)
Abstract:

Quantified resonance theory (QRT) involving the use of weighting has been applied to ionization potential, electron affinity, energy of the lowest π→π~* transiton, charge density and bond order in excited state for odd π hydrocarbon radicals, anions ...

A Study of Intercalation Binding of Harmaline and Harmine to DNA by Microcalorimetry
Wang Bao-Huai , Zhang You-Min , Yang Ming , Miao Pei , Wang Kui
1994, 10(01): 82-86  doi: 10.3866/PKU.WHXB19940119
[Abstract](2609) [FullText HTML] [PDF 5388KB](2483)
Abstract:

The enthalpy changes for the binding of two alkaloids with the bioactivity to inhibit monoamine oxidase, harmaline(HL) and harmine(HM) to calf thymus DNA have been determined calorimetrically in a 0.01 mol·L~(-1) piperazine-N、N -bis(2-ethanesulfonic ...

Study of the Oscillating Reaction in Amino Acid-BrO-3-Mn2+-H2SO4-Acetone System
Yuan Chun-Lan , Li Zong-Xiao , Wang Jian-Chao
1994, 10(01): 87-91  doi: 10.3866/PKU.WHXB19940120
[Abstract](3024) [FullText HTML] [PDF 4877KB](2295)
Abstract:

This paper, Using potentiometric method, first reports the oscillating behavior of five amino acids (L-methionine, L-cystine, L-tryptophan, L-serine, L-tyrosine) in a new oscillating system of amino acid-BrO_3~--Mn~(2+)-H_2SO_4-acetone. The effect of...

Theoretical Study on Cl+CH4→HCl+CH3
Ju Guan-Zhi , , Ju Quan
1994, 10(01): 92-95  doi: 10.3866/PKU.WHXB19940121
[Abstract](2904) [FullText HTML] [PDF 3895KB](2481)
Abstract:

Using the results of quantum chemistry, thermodynamic and kinetic calculations for this experimentally well studied reaction has been carried out. The adaptability of the computational results of diffrent quantum chemistry schemes (considering electr...

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