The free radical PTH·⁺ photo-induced in the system of phenothiazine(PTH)/TiO₂ has been studied by ESR. In the system of PTH/RH, the PTH·⁺ is produced by photoionization of PTH. On the other hand, in the system of PTH/RH/TiO₂, the PTH·⁺ is generated by photo-ionization of PTH, as well as by the electron transfer from the ¹PTH^* to the conduction band of TiO₂. Furthermore, the diamagnetic ion PTH²⁺ is also obtained by the electron transfer from the PTH·⁺ to the conduction band of TiO₂.

The chemically induced dynamic electron polarization (CIDEP)of the photolysed anthraquinone radicals was studied by using the time-resolved ESR spectrometer.The strong polarization signal of anthrasemiquinone radical AQH· was obtained experimentally in the anthraquinone/ethyleneglycol/TX-100 system.The polarization signal of the anthraquinone anion radical AQ·^- was measured after laser excitation ~0.8μs. This fact indicates that the anthrasemiquinone radical was dissociated partially to the anthraquinone anion radical AQ·^-.

The NMR relaxation measurement provides an experimental evidence for the existence of cohesional entanglement among side group, phenyl rings, of polystyrene (PS)in concentrated cyclohexane solution.Conformation of polystyrene ([CH₂CH]_n, n=6, 18, 21 and 60) in the condensed state was calculated by means of the molecular mechanics and molecular modeling in vacuo using the molecular graphics package HYP ERCHEM. The following results were obtained:1)for head to end connected polystyrene when n=6, different simulation run times was done at 240℃(melting point) and gradually cooled to ambient temperature. The equilibrium energy of the system decreases as the running time is prolong ed, the stacking of the benzene rings becomes more obvious. When the running time reached 20ps, the system approaches to the state of equilibrium, where a part of adjacent phenyl rings stack as pairs of parallel rings of different orientations.The distance between the two parallel phenyl rings is about 0.3nm. Prolonging the run time to 60-100ps, we obtained more ordered conformations with lower energies.Three or four adjacent phenyl rings became parallel. Similar results were obtained when the simulation temperature was increased to 1727℃, with a gain of shortening the time consumed. 2)In order to get information that is more approximate to the real polymer, the value n should be increased. However, simulation of this polystyrene with values, n, of 18, 21 up to 60 were conducted, due to the limitation of computation time with our personal computer. The same results were obtained.3)Simulations of head to head or end to end connected polystyrene (n=6)at the same conditions do not give similar results. Parallel phenyl rings with distance longer than 0.6nm were found.The above results suggest that there exist ensembles of 2, 3 and even 4 stacked adjacent phenyl rings being parallel with distances of ~0.3nm one to another with different orientations in condensed polystyrene. This gives the theoretical basis for the existence of the short-range order in polystyrene.

Digital quadrature detection (DQD) of nuclear magnetic resonance signal employs only one channel of analog-to-digit conversion. Therefore, nophase cycling for radio frequency pulses, indispensable for canceling error or unbalance in the conventional two channel quadrature detection technique, is needed. In the present article, Detailed discussion about data processing in the DQD is shown. The requirement for ADC's sampling rate can be reduced by using interpolation in the time domain and choosing a proper digital filter. Finally, NMR experimental results are demonstrated.

A series of 3, 6-dinitrodibenzopyrioindium heterocyclic compounds with different heteroatoms were synthesized, and the chemical shifts of their aromatic carbons are assigned by ¹³C-¹H COSY spectroscopy.The effect of different heteroatoms to the chemical shifts of the aromatic carbonatoms are discussed too.

N-formyl compounds are useful fine chemicals and intermediates for medicines, pesticide, and herbicide. They are good solvents. We have obtained NMR spectra of a series of N-formyl compounds, general features of which are compared and discussed. Especially noticed the appearance of isomers due to double bond character of C-N bond and stabilization of hydrogen bond to the isomer. The spectra of the more complex N-formyl compounds are discussed in terms of the conclusions drawn from the spectra of simple compounds. To study the isomerism of N-formyl compounds, we have taken the temperature variation NMR technique. We have studied the ratio of isomers at different temperatures.It is our conclusion that the isomerism of N-formyl compounds is caused by double bond characer of C-N bond and hydrogen bond.

A flavonoid disaccharide compound, quercetin-3-(6-p-hydroxy-cinnamoyl-glucosyl)-rhamnosyl, extracted from gingko, is studied by NMR. ¹H, ¹³C chemical shifts are assigned for the disaccharide.It is shown by ¹³C chemical shifts and ¹H NOE correlation that the rhamnosyl takes a 1-2 connection in this molecule.

The ¹H、¹³C and ³¹P NMR spectra of platinum complexes (1)and (2)have been measured. The analysis of 1D NMR spectra of complex (2)indicates that it is not[Pt(3-MBPA)₂], but[Pt(3-MBPAH) (3-MBPA) Cl].The ¹H-¹H COSY and ¹H-¹³C HMQC 2D NMR techniques were used to analyze and assign the ¹H and ¹³C NMR spectra of platinum complex trans-[Pt(3-M BPAH)₂Cl₂] (1)and trans-[Pt(3-MBPA) (3-MBPAH) Cl] (2). The trans geometry of the complex has been determined by means of the coupling constants (¹J_P-Pt, ²J_P-P)

The generalized relationship which correlates the geminal coupling constants with the hybrid orbitals, net atomic charges, bond leng ths and bond angles had been em ployed to obtain one concrete relationship for calculation of the geminal coupling constants ²J_CaCbH in aromatic systems. The geminal coupling constants evaluated by use of the concrete relationship are in good agreement with the experimental data, which show s that the generalized relationship is feasible for elucidating the geminal coupling constants ²J_CaCbH in aromatic systems.

Photo-decomposition of benzoin and its derivatives has mainly been investigated from the standpoint as initiators of photo-polymerrization. In this article, we obtained different CIDNP spectrum by changing kinetic parameter d₉. The photo-decomposition scheme of benzoin was verified, suggesting that the benzaldehyde is an escape product and the benzoin is a geminate product. By simulating the CIDNP spectrum, the polarized signals of the arene protons are also distinguished.

The ¹³C NMR data of eight benzo[h] quinolines are reported and their structures are determined. The ¹³C chemical shifts of all 8 compounds have been assigned. The factors influencing the chemical shifts are discussed.

The content of water in freezed-dried red bolld cells, which influence on the function of red blood cells after rehydration is an important specification.It is diffiant to separate and determine precisely because water and samples were mixed and incorporated. The content of water was gained by routine proton NMR integration combined with the method of standard addition, after water in samples was completely absorbed by d₆-acetone, which is soluble in water in all proportions. The result showed that this approach is simple, easy and accurate.

Isoflavonoids possess estrogenicity and antiosteoporosis.3-phenyl-4 (1H)-quinolinone derivatives are isosteres of isoflavonoids.We proposed that 7-hydroxy-3-phenyl-4 (1H)-quinolinone derivaties can also exhibit similar activities 5-hydroxy-3-phenyl-4(1H)-quinolinone derivatives are isomers of 7-hydroxy-3-phenyl-4(1H)-quinolinone derivatives.They were designed and synthesized for antiosteoporosis. None of them been reported in literature. The ¹H NMR data are listed in detail in this article.

Electron spin resonance measurement was performed for new tocopheroxyl model radical (7-t-butyl-4-isopropyl-2, 2-dimethyl-6-chromanoxyl radical)obtained from a new tocopherol model compound initiated by di-t-butyl peroxide in toluene.The proton hyperfine coupling constants and g_iso-value were determined.The computer simulation spectrum was made by use of these hyperfine coupling constants.

In this paper, the ESR (electron spin resonance)spectra of brown and bituminous coal have been systematically studied by means of JES-FE1XG model ESR spectrometer.The brown and bituminous coals contain a large amount of stable free radicals. Due to strengthening of coalification, the peak width of bituminous coal is mo re narrow than that of brown coal. The efflorescence reaction results in obvious decrease of spin concentration, which will offer a quantitive standard for judging whether the coal was efflorescend. The reason may be that the structure of large molecule of coal is damaged by efflorescence reaction, resulting in the decrease of stability of π electron radicals.