Amorphous hydrogenated silicon nitride (a-SiNx:H) films deposited by plasma-enhanced chemical vapor deposition using SiH₄/NH₃/N₂ mixtures are analysed by infrared and proton nuclear magnetic resonance. The results demonstrate that hydrogen in the films exists in the forms of Si-H and N-H, both of which are in the state of cluster and dispersion. Substrate temperature effects on total hydrogen density and homogeneity,rf power controls the ratio of[N-H]/[Si-H]; after annealing, the spatial distribution of hydrogen is still in cluster and dispersion phase.

The differences in nuclear magnetic resonance signal intensity of rat brain between normal rats of controlling group and depressed rats of model group have been investigated using the approach of magnetic resonance imaging (MRI). Based in the MRI images and the data analysis, it was generally found that the NMR signal from various cerebral tissues of the depressed rats were more intense than those of controlled rats. On the other hand, the images suggested that the fissures of the depressed rats cerebrum were deeper and broader than those of normal rats.

Nitric oxide has many biological functions, but nitric oxide generated in biological systems can not be trapped by the nitroso spin traps. DETC iron complex can be used to trap nitric oxide generated in biological tissues, but there are some difficulties in analysis of the ESR spectroscopy. The g-values and hyperfine splitting structure of the ESR signals appeared in the DETC Fe trapped nitric oxide system are analysed and the methods for solving the difficulties are suggested.

The secondary reaction kinetics processes of free radicals initiated by photoinduced electron transfer occured on the surface of semiconductor superfine particles were studied by means of ESR method. The results indicated that a lot of free radical reactions can be conveniently initiated with the help of COO^-· ion radical produced in the colloid system of Cadmium Sulfide(CdS) containing water soluble oxalate, and the rate constants of reactions of ion radical COO \+-. with other compounds may be calculated out according to the known rate constants of the addition reaction between spin trap DMPO and ion radical COO^-·, so as to develop a simple and effective approach for studying the kinetics of free radical reactions. Obviously, this method shall be extensively used in the research of other kinetics systems of free radical reactions taken place in condensed phase.

Kinetic ³¹P NMR studies were used to study the reaction of stabilized phosphorus ylide with phthalic anhydride. The structure of reaction products were measured by means of ¹H NMR and the different factors influencing this reaction were discussed.

A series of heteronuclear complexes of Ln(Ⅲ-)-Ni(Ⅱ) and Ni(Ⅱ) complexes with bissalicylaldehyde ethylenediamine (SALEN) have been synthesized. They are formulated as Ln₂Ni₃(SALEN)₆(NO₃)₁₂·H₂O(Ln=La,Nd,Sm,Gd,Yb,Y) and Ni₃(SALEN)₂(NO₃)₆·H₂O, respectively. The differences in their compositions, structures and coordinations have been investigated by UV, IR, magnetic susceptibility, especially by ¹H NMR and EPR spectrascopy. The EPR spectra of the Gd-Ni-SALEN complex in powder and various solvents were investigated at different temperatures. "Single Peak Effect" was observed in THF solvent at low temperature. The "U" spectral feature, crystal-field strength and local symmetry around Gd³⁺ were discussed.

Two kinds of noncyclic polyether Schiff bases, bis-salicylidene diethylene glycol diamine (SALDA)^[1] and bis salicylidene tetraethylene glycol diamine (SALTTA)^[2] as well as their new complexes[Zn(SALDA)] (NO₃)₂·4H₂O and Cu₃(SALTTA)(NO₃)₄ (NO₃)₂·3H₂O have been synthesized and characterized by IR and UV spectra, especially by ¹H and ¹³C NMR methods. Synthesis method has been studied in detail. IR spectra show that not all of the ethereal oxygen donor atoms in SALTTA are coordinated to the central metalions.

Ab initio calculations of the ¹⁵N chemical shifts are reported for two Schiff bases. The calculations were performed with the gauge invariant atomic orbital (GIAO) quantum chemical approach. Optimized geometrical parameters were used. The predicted results successfully reproduce the observed ¹⁵N shielding values for the two compounds taken in the solid state. It is demonstrated that the calculation reasonably confirms the ¹⁵N chemical shielding behavior due to the formation of an intramolecular hydrogen bond.

A set of novel atom descriptor called as Distance-Edge Vector (μ) was developed, which expressed the total information about the carbon atom disposition with respect to one another in alkanes. By taking the Distance-Edge Vector(μ) and the path counts of length three C-C bonds (P₃) apart from the given carbon atom as parameters, the multiple linear regression analysis between these parameters and the ¹³C NMR chemical shifts of all alkanes bearing one to nine carbon atoms (64 compounds including 326 different chemical shifts for topologically nonequivalent positions in alkanes) was curried out. The obtained result was:the standard deviation S is only 0.9629ppm and the correlation coefficient R is 0.9957. Using the linear regression analysis equation, we got precision of prediction:for 83% (90% and 95%) of the shifts, the difference between the experimental and predicted values was less than 1.0ppm (1.5ppm and 2.0ppm respectively).

¹³C NMR spectra of aliphatic carbon region of solution polymerized SBR coupled with tin chloride were studied. The assignment for 24 peaks observed experimentally was made by using edited DEPT subspectra combined with the empirical parameters reported in the literatures.

The ¹³C chemical shifts in acyclic aliphatic hydrocarbon molecules were correlated to the electron populations at the neibouring atoms and to the local steric energies of the considered ¹³C atoms.
Data of 72 ¹³C atoms included in 14 typical molecules have been treated by the step regression method. The final obtained regression equation and the values of all relevant statistic quantities show an evident linear relation between the ¹³C chemical shift and the other mentioned factors. The ovarall root-mean-square deviation of the predicted ¹³C chemical shift values is 0.835ppm and the maximun deviation is 2.232ppm.

The chemical structure of ethyl arotinoid ester were studied by means of ¹H-¹H COSY, ¹³C-¹H COSY, HMBC,NOESY,DEPT and homonuclear decoupling with elementary analysis, masss spectrometry, IR and UV. The chemical shifts of ¹H and ¹³C NMR were assigned.

A Magnetic Resonance Imaging (MRI) experimental system for rheometric study of macromolecule solutions has been set up on a Bruker MSL-400 micro imaging spectrometer. This method depends on a specific accessory to produce the steady-state condition in a "Couette" cell, and a specific pulse sequence to obtain the normal NMR flow velocity imaging. From the imaging data, the relation between the shear stress and shear rate can be obtained easily.

The ¹³C NMR data of 11 3-haloquinolines are reported and their structures are determined. The ¹³C NMR chemical shifts of all 11 compounds have been assigned. The factors of influencing the chemical shifts are discussed.

In this paper, molecular modelling (MM) with multiple linear regression (MLR) were employed for estimation and prediction of ¹³C NMR chemical shifts in alkanes from one or two through nine carbon atoms. Carbon atoms in alkanes were determined by 16 descriptors which correpond to the so-called embedding frequecies of rooted subtrees or subgraphs. These descriptors were equal to appearance numbers of smaller structural skeletons composed of one through six carbon atoms (C1~C6). It was demonstrated that the employed descriptors offered a quite useful formal technique for the proper and adequate description of environment of carbonatoms in alkanes.The results of MLR computation were compared with those of neural networks(NN) with modified backpropagation (MBP)calculations.Good results were obtained by using both techniques.

Alternate sampling was used when there is only one analogue-to-digital converter in the quadrature dual channels receiver. Because the real part and the imaginary part are not acquired at the same time, there is the artifact on the spectrum of the alternate-sampled data. An Imagford algorithm is proposed for the elimination of the artifact and used in the home built micro NMR imaging system.