¹H, ¹³C and ³¹P NMR data are reported for 21 0,0-dialkyl phosphonates. Stereochemical dependence of ¹H, ¹³C chemical shifts in unequal dialkyl groups and ³¹P ¹³C spin-spin coupling constants were studied and discussed.¹³C spin-lattice relaxation times, T₁, for (CH₃CH₂0)₂P(0)CH(CH₂NO₂) (p-OCH₃C₆H₄) were measured. There are differences between ¹³C spin-lattice relaxation in two ethyl groups because the chemical shift anisotropy made contributions to relaxation.

Six camphene derivatives were studied by ¹H, ¹³C NMR and UV spectroscopy. All of the ¹³C lines and part of the ¹H lines were assigned. The results show a linear correlation between ¹³C and ¹H chemical shifts, but a necessary correlation between ¹³C shifts and UV maximum absorption was not found. In addition electron charge effects dominate ¹³C chemical shifts. Possible explanation of the electron charge effects on ¹³C chemical shifts was suggested.

Coupling constants of morphine and codeine were obtained by using 360 MHz NMR. The coupling patterns were verified by a J-resolvcd two-dimensional spectrum. The dihedral angles were calculated by using a series of modified Kar-plus equations.The configurations of morphine and codeine were calculated from X-ray bond length and the calculated dihedral angles.

The computer simulation method of the solid powder pattern in the presence of anisotropic chemical shift effect and nuclear electric quadrupole interaction is presented. The computer program was designed for the powder pattern of the central transition of nuclei with half-integral spin. The "noise" and error in the simulation spectra as well as the spectra simulation procedure were analysed.

A treatment of ¹³C NMR data with fuzzy sets can help us to deduce the structures of some organic compounds. A few flavonoids were identified by the nearest neighbour technique and Hanmming distance;configurations of the conjugate dienes were determined by fuzzy classification;and the epimers of some methyl glucopyranosides were distinguished by fuzzy network.

The system for ordinary and intellectual faculties search of the sadtler standard carbon-13 NMR spectra was established. There are functions for setting up the amount of peaks and the permit error of the chemical shift in the system. The program in the system was written in BASIC and changed into the machine language by the BASIC compiler. The system runs on a 16 bits of IBM-PC compatible minicomputer.

2D-heteronuclear relayed coherence transfer and 2D-long range heteronuclear correlation spectroscopy were successfully applied to the determination of the structures and the assignment of resonances of 5 -fluorouracil derivatives. The results show that XCORFE method plays an important role in confirming the connection mode of quaternary carbon or other atoms in the molecules.

In this paper, the theoretical principle, the influential effect on T₂ of the water proton and application of a WATR method are discussed.
The method involves adding water proton exchange reagents, e. g.ammonium chloride, hydroxylamine hydro-chloride and guanidinium, into aqueous solutions to reduce T₂ of the water proton and then measuring ¹H-NMR spectra by CPMG pulse sequence.
The resonance of samples especially at or near the frequency of the water resonance in dilute aqueous solutions was clearly observable. The chemical shifts and coupling constants of ¹⁵N-¹H in dilute aqueous solutions were also observable, which up to now has never been reported about this aspect.

The details of the design and construction of an injection and frequency locked super-regenerative oscillator (SRO) type NQR spectrometer working in the frequency range of 13MHz-40MHz are presented. The spectrometer is composed of external quench super-regenerative-oscillator, a continuous wave oscillator with stability of about 10^-5 and a frequency locked unit. The quench frequency can be continuously adjusted from 15KHz to 150KHz. The advantages of the spectrometer are as follows. (I) the pure absorption or pure dispersion line-shapes can be obtained separately (ii) its frequency stability is determined only by that of an independent oscillator which provides a frequency locking signal (iii) the resonant frequency can be measured directly by a frequency counter. (iv) easy adjustment. A series NQR spectra of ³⁵Cl were measured with the spectrometer, and the results are presented.

A kinetic study of the elimination of hydrogen bromide from α,β-dibromo-propanamide reactive dyes was made. Through ¹H nuclear magnetic resonance tracing technique this elimination reaction was found to be a pseudofirst order reaction. The reaction rate constants in deuterium oxide at pH 7-9 and temperature 25-50℃ were determined.

The ¹³C NMR spectra of the S-tetrazine derivatives were investigated by using chemical shift reagents (CSR), Pr(fod)₃ and Eu(fod)₃. The capability of complexation between the S-tetrazine and the CSR was related to the density of electrons on the ring. The chemical shift values of 163-171ppm were determined by induced chemical shifts (US). The mechanism of the induced shifts is discussed. Pseudo-contact effect is predominant for Pr(fod)₃ but contact effect makes an important contribution to the US for Eu(fod)₃.

In this paper, he basic principle of the rapid scanning technique, the structure and characteristics of the apparatus and its applicaitons in light induced ESR measurement are reported.