Acta Chimica Sinica ›› 1983, Vol. 41 ›› Issue (12): 1146-1152. Previous Articles     Next Articles

Original Articles

异吲唑硝基取代衍生物的HEI2光电子能谱---"轨道换向"现象的又一例证

王建祺;Heilbronner,E.   

  1. 北京工业学院;瑞士巴塞尔大学物理化学研究所
  • 发布日期:1983-12-15

The HeIα photoelectron spectra of nitro substituted indazoles ---an example of "orbital switching."

WANG JIANQI;HEILBRONNER,E.   

  • Published:1983-12-15

The HeIα PES of indazole (1a), 3-bromoindazole (2a) and their isomeric nitro derivatives 1b-e and 2b-e have been recorded. It has been found that the lowest π^-^1 ionization energies (I1)^m, (I2)^m are moved towards higher energies under the influence of the nitro group, but that there is no significant dependence of the size of the shifts (ΔI1)^m, (ΔI2)^m on the position of the group. The result, which is at variance with the predications derived from a naive perturbation treatment based on the π orbitals of 1a, has been explained as being due to "orbital switching" in the substituted derivatives.

Key words: NITRO COMPOUNDS, CHEMICAL SHIFT, PHOTOELECTRON SPECTROSCOPY, PERTURBATION THEORY, INDAZOLE P

CLC Number: