高等学校化学学报

高等学校化学学报 ›› 1987, Vol. 8 ›› Issue (3): 260.

• 论文 • 上一篇    下一篇

显色剂性能的量子化学方法(PPP法)研究

李梦龙, 章开诚   

  1. 湖南大学化学化工系
  • 收稿日期:1985-10-25 出版日期:1987-03-24 发布日期:1987-03-24

Quantum-Chemical Calculations(PPP Method) of Some Properties of Organic Reagents

Li Menglong, Zhang Kaicheng   

  1. Chemical and Ohemioal Engineering Department, Hunan University, Changsha
  • Received:1985-10-25 Online:1987-03-24 Published:1987-03-24

PDF (PC)

被引次数

7

摘要： 编制了适于有机显色剂电子结构与光谱性能研究的PPP法计算程序。用此程序计算了吡啶偶氮显色剂系列,并对部分显色剂进行实验,结果发现计算与实验的长波吸收波长有较好的一致性。

Abstract: Acomputer program of PPPmethod for the electronic structures and spectroscopic properties of organic reagents has been prepared. Pyridyl azo reagent series have been studied with this program. The wave-long absorption spectra of some organic reagents determined by our experiments were compared with the calculated results and a good agreement was found.

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