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Chinese Journal of
Magnetic Resonance
(Quarterly, Started in 1983)
Editor-in-Chief: LIU Mai-li
Sponsored by
Wuhan Institute of Physics and Mathematics, CAS
Published by Science Press, China
Distribution Code: 38-313
Pricing: ¥ 80.00 per year
Current Issue
       Volume 3 Issue 2, 05 June 1986 Previous Issue   Next Issue
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    THE CHEMISTRY OF FUSED TRICYCLIC TRIAZO-PHOSPHOLENE Ⅳ.THE 31P AND 13C NMR STUDIES OF COMPOUNDS Ⅱ AND Ⅲ
    Zhang Jinglin, Cao Zhisong, Xu Kuifang
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 99-104.  
    Abstract     HTML ( )   PDF(336KB)
    In this paper, the 13C NMR lines of two new series of fused tricyclic triazophospholene compounds, 1-phenyl-5-aroxyl derivatives Ⅱ and 1-phenyl -5-alkoxyl derivatives Ⅲ, were assigned to each carbon, and the correlation between δ31P values and σ constants of substituents on Ar groups was reported.
    HIGH-RESOLUTION 1H-NMR STUDY OF DIPHENIC ACIDS
    Gu Ruiling, Li Zhenghua
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 105-111.  
    Abstract     HTML ( )   PDF(452KB)
    High-Resolution 1H-NMR spectra of eight typical diphenic acids were reported. The chemical shifts of complex system of diphenyl protons can be identified by the double resonance method, but can't be determined in 80 MHz 1H-NMR spectra.
    STUDY OF THE POLYESTER-POLYESTER MULTIBLOCK COPOLYMERS BY 1H-NMR
    Du Dingzhun, Luo Xiaolie, Ma Dezhu, Liu Changhe
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 113-118.  
    Abstract     HTML ( )   PDF(368KB)
    A series of PET PCL polyester-polyester multiblock copolymers with different weight ratio of the hard to the soft segments have been studied by 1H-NMR. peaks were assigned by using various spectral informations and techniques.Thus, mathematical expressions which decribe well the multiblock copolymers with 1H-NMR. sequence structure of the chemical chains and quantitative relations in each structure units were obtained.
    A SMAⅡ-SCAIE 13C NMR DATA BASE
    Hu Hongbin, Zhao Jingnan, Li Chao
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 119-124.  
    Abstract     HTML ( )   PDF(372KB)
    This paper introduces a method to set up a 13CNMR spectral data base with DBASE I and BASIC. The retrieval system provides easy acquisition, correction, inquiry, displaying and printing of spectral data and molecular structures for the user. It is practical to set up a small-scale specific spectral data base.
    AN ESR STUDY OF ACTIVE RADICALS PRODUCED IN THE PHOTOCHEMICAL HYDROGEN ABSTRACTION REACTIONS BETWEEN BENZOPHENONE AND HYDROCARBONS
    Ji Haixing, Xu Guangzhi
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 125-130.  
    Abstract     HTML ( )   PDF(376KB)
    The active radicals produced in the photochemical hydrogen abstraction reactions between benzophenone and aliphatic or aromat;c hydrocarbons have been studied by combination of spin trapping reagent 2,4, 6-tri-t-butylnitrosobenzene (TBN) by ESR spectroscopy.Results show that R3R2R1Ċ reacts with TBN to form N-alkoxyanilino spin adducts, and RĊHR' reacts with TBN to form both N-alkoxyanilino and Nitroxide spin adduets.Therefore, TBN may be used for distinguishing radicals from aliphatic or aromatic hydrocarbons with and without steric hindrance.
    THE CALCULATION AND SIMULATION OF ESR SPECTRA OF TRANSITION METAL COMPLEXES WITH D4h SYMMETRY AND S=(1/2)
    Bai Lingjun
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 131-138.  
    Abstract     HTML ( )   PDF(400KB)
    The study of ESR line shapes of transition metal complexes in magnetically dilute polycrystalline samples by R. Nejman and D. kwelson has been extended. An expression of the absorption intensity, with second order approximation may be obtained. The programs have been designed fot simulation ESR derivative spctrum by SHARP PC-1500 pocket computer.
    STEREOCHEMICAL DEPENDENCE OF CARBON-13 NMR RELAXATION IN 1,2-POLYBUTADIENES IN SOLUTION
    Ni Shaoru, Chang Hongfang, Yu Fusheng, Shen Lianfang, Qian Baogong
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 139-145.  
    Abstract     HTML ( )   PDF(433KB)
    The carbon-13 spin-lattice relaxation times and nuclear overhauser enhancement factors (NOE) fora series of 1, 2-polybutadienes with different configurations of 1,2-units in solution of CDCl3 are determined on 200 MHz pulse FT-NMR Spectrometer. Different kinds of model in interpreting the carbon-13 NMR relaxation data including the Cole-Cole, Fuoss-kirkwood distribution mobel of correlation times, the configurational jump model proposed by valeur et. al. and damped orientational diffusion model of polymer local main-chain motion proposed by Skolnick and Yaris were computer simulated. The stereochcmical dependence of carbon-13 NMR relaxation in 1, 2-polybutadienes is investigated.
    CALCULATIONS OF CHEMICAL SHIFTS OF PROTONS IN RINGS OF FUSED BENZENOID AROMATIC HETEROCYCLICS AND THEIR ALKYL CHAINS
    Wu Zuyi
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 147-157.  
    Abstract     HTML ( )   PDF(629KB)
    In the present paper the calculation methods of chemical shifts of protons in the rings of fused benzenoid aromatic hcterocyclics and their alkyl chains has been proposed.
    The chemical shift of fused benzenoid aromatic helerocyclics must be presented by KeKul'e formulas, the calculation formula is:
    σj,c=c are the effects of ethenyls in the benzene rings that must be calculated.σmi,Cj are the net ring-current effects of benzene rings.σl,Hc are shielding effects of aromatic heterocyclics. If the proton belongs to an aromatic heterocyclic ring,σl,Hc is chemical shift of the proton that is in the same position of the single aromatic heterocyclic ring. If the proton belongs to benzene rings,σl,Hc must be divided into the effects of the structural units, thus:
    σl,Hc=(1/2)d-1σx=y(or σz)+σc-c+σm,Hc σx=y and σZ are shielding effects ofheteroatom or hcteroatomic group +σc-c is the effect of ethenyl if it is situated in the aromatic heterocyclic ring. σm,Hc is net ring current effect of aromatic helerocyclic ring, d is the bond number that is concerned to the different protons. The substituting groups must be considered if they are present. The calculation fomula for the protons of alkyl chains in a ring is:δσP,CH3+α σS,CH3+β σt,CH3+σi,G σi,G is a certain order effect of fused benzenoid aromatic heterocyclic radical.
    NMR STUDY OF THE ADSORPTION OF HYDROCARBONS ON SEVERL TYPICAL NATIVE CHARCOALS I.1H NMR STUDY OF ADSORBED GASOLINE
    Du Youru, Kun Yuhua
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 159-163.  
    Abstract     HTML ( )   PDF(1350KB)
    1H NMR parameters of gasoline adsorbed on five native charcoals have been measured. It was found that chemical shifts, half height width of the spectral lines and spin lattice relaxation times are closely related to the degree of desorption of gasoline, adsorption capacity and the amount of surface acid groups of the charcoal respectively. These results were discussed.
    AN ESR STUDY OF ACTIVE RADICALS PRODUCED IN THE PHOTOCHEMICAL HYDROGEN ABSTRACTION REACTIONS BETWEEN ETHERS,PHENOLS AND BENZEOPHENONE
    Ji Haixing, Xu Guangzhi
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 165-170.  
    Abstract     HTML ( )   PDF(352KB)
    The active radicals produced in the photochemical hydrogen abstraction reactions between benzophenone and ethers or phenols have been studied by combination of sqin trapping reagent 2,4,6-tri-t-butylnitrosobenyene (TEN) by ESR spectroscopy. Results demostratethat benzophenone can abstract hvdrogen from a-c adjacent to oxygen of ethers as follows.
    ϕ2CO+ROR→ϕ2ĊOH+R'ĊHOR
    And the R'ĊHOR reacts with TBN to form either Nitroxide(I) or N-alkoxyanilino spin adducts. For the case of phenols, benzophenone abstracts hydrogen from phenolic hydroxyl of phenols to from phenoxy radicals (R-O-Ȯ). They also react with TEN to formeither(I) or (Ⅱ) spin adducts.
    THE ESR SPECTRA OF THREE REDUCED M6O19n- HETEREOPOLYANIONS
    Li Lijuan, Yue Shitai, Qiu Zuwen
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 171-181.  
    Abstract     HTML ( )   PDF(676KB)
    The ESR spectra of three reduced heteropolyanions belonging to Lindqvist structure are reported in this paper. At room temperature and appropriate pH range the ESR spectrum of VMo5O194- contains 8 hyperfine lines and the spectra of V2W4O195-and V3W3O196- contain 15 hyperfines lines. These 15 lines gradually change their shape and finally become a eight-line spectrum after a longer period of time. We have successively simulated these complex 8 + 15 spectral lines by superposition of the 8 line with 15 line spectrum at different ratios. The ESR parameters of 77K frozen spectra are determined and the approximate K, α values are calculated based on LCAO-MO theory. The results are compared with those of Keggin structure polyanions. It is found that the K, α values of Keggin structure are smaller due to the extra delocalization originated from the additional corner-shared oxygen presented in the Keggin strcture.
    AN EFFECTIVE METHOD FOR RAISING THE ACCUMULATION EFFICIENCY OF QUAT SEQUENCE
    Zhao Huansui, Hao Shuxuan
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 186-186.  
    Abstract     HTML ( )   PDF(272KB)
    A pulse sequence for generating the 13C-NMR spectra of nonprotonated carbons is introduced. A suggestion for improving this sequence is offered. It has been shown on a FX-90Q NMR spectrometer that this improvement can obviously increase the accumulation efficiency and decrease the peak intensity distortion.
    SEVERAL PROBLEMS IN DYNAMIC STRUCTURE OF BIOLOGICAL MEMBRANE AND MEMBRANE PROTEIN STUDIED BY SOLID STATE 2H NMR
    Huang Zhaogeng, Wu Suqin, Liang Hanyao
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 187-203.  
    Abstract     HTML ( )   PDF(1168KB)
    Biological membrane is an important part of the cell. The biosynthesis of the protein, catalytic mechanism of the enzyme, energy transmit, material convey, nerve impulse transmission, cell-cell recognition, cell cancerology, immunochemistry, hormonal action, metabolism, vision and resperation are closely related to the functions of biological membrane. To study the relationship between structure, especially dynamic structure, and function of biological membrane will provide important scientific basis for solving these problems. Study of membrane protein and biological membrane by 2H NMR is a very effective means for solving them.
    Several problems in dynamic structure of membrane protein, especially bacteriorhodopsin of purple membrane, and biological membrane studied by solid state 2H NMR are discussed in this paper on the basis of the new results obtained by us and other authors. These problems are 1). Selection of the method for the study of dynamic structure of membrane proteins and biological membrane. 2). Dynamic structure of purple membrane protein studied by solid state 2H NMR. 3). The model of dynamic micro-structure of bacteriorhodopsin of purple membrane. 4). A contemporary, microscopic fluid mosaic model of dynamic structure of biological membrane by 2HNMR.
    LIE ALGEBRIC RESEACH OF COMMUTATIVE HYPER-OPERATOR METHOD
    Dai Huaide
    Chinese Journal of Magnetic Resonance, 1986, 3(2): 205-215.  
    Abstract     HTML ( )   PDF(522KB)
    In this paper the theoretical foundation of commutative hyper-operator method has been discussed.The results show that the operator set defined by commutative hyperoper-ator is a Lie algebra, the definition of commutative hyper-operator is just that of the inner derivation in Lie algebra.From this, some algebric relations between commutative hyper-operators were obtained. It is verified that hyper-opera tor set derived from operators in g is also a Lie algebra.It is shown that a Lie group derived from covering group and defined by inner product corresponds to g.and the hyper-operators of angular momentum are generated by direct product between inner angular momentum of a vector field and unit operator.The conclusion is that the theoretical foundation of commutative hyper-operator method is Lie algebra.