Chinese Journal of Magnetic Resonance ›› 1991, Vol. 8 ›› Issue (2): 139-146.

Previous Articles     Next Articles

PREDICTION OF 13C-NMR CHEMICAL SHIFTS FOR MOLECULAR ORIENTATED SOLID POLY (ETHYLENE TEREPHTHALATE)

Wang Guoxi, Xu Xiaolong, Wang Dehua   

  1. Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics, Academia Sinica
  • Received:1990-05-11 Published:1991-06-05 Online:2018-01-20

Abstract: Based on the atomic coordinates determinated by X-ray diffraction and the principal values of 13C-NMR chemical shifts, we introduced an approach to calculate the chemical shifts of orientated PET. The direction of drawing axis of PET was parallel to the direction of magnetic field. The calculated results fit the experimental data very well. Thus, we get the conclusion that the main direction of molecular chain is parallel to the drawing axis.

Key words: PET, NMR