COLOR AND CONSTITUTION RELATIONSHIPS IN ORGANIC PIGMENTS .3. PHTHALOCYANINES

被引：18

作者：

CHRISTIE, RM

FREER, BG

机构：

[1] Department of Textiles, The Scottish College of Textiles, Galashiels, TD1 3HF, Netherdale

来源：

DYES AND PIGMENTS | 1994年 / 24卷 / 02期

关键词：

Calculations - Color - Derivatives - Electric excitation - Electrons - Molecular physics - Optimization - Structure (composition) - Synthesis (chemical);

D O I：

10.1016/0143-7208(94)80004-9

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Phthalocyanines provide the most important classical organic pigments in the blue and green shade area and some derivatives are of interest as near infrared absorbers. The results of PPP molecular orbital calculations, after refinement by parameter optimisation, were found to provide good agreement with experimental lambda(max) values for a range of metal-free phthalocyanines and their complexes. The nature of the electronic excitation processes are discussed in terms of the calculated changes in pi-electron charge density.

引用

页码：113 / 124

页数：12

共 20 条

[1] Phthalocyanines and associated compounds. Part XIII. Absorption spectra. [J].