Document Detail

The origin of the halogen effect on the phthalocyanine green pigments.
MedLine Citation:
PMID:  20397255     Owner:  NLM     Status:  PubMed-not-MEDLINE    
The structure and the electronic and optical properties of halogenated copper-phthalocyanine (nalpha,mbeta(Hal)-CuPc) molecules are investigated, according to the variation in the substituted halogen-atom species (Hal=Cl or Br) at the alpha and beta positions of isoindole ring with different numbers (n and m=0, 4, 8, or 16). Our results show that the halogen effect mainly results from a structural deformation rather than caused by electronic effects. A nonplanar deformation of the phthalocyanine chromophore of the nalpha,mbeta(Hal)-CuPc molecule causes a significant change only in the HOMO and HOMO-1 levels, rather than in the LUMO levels, which leads to the appearance of a green color arising from the large red-shifts of the Soret and Q bands. The present result may serve as an important reference point for designing novel halogen-free green pigments, in accordance with the environmental regulations for the restriction of hazardous substances (RoHS) in electronic and electrical devices.
Sang Uck Lee; Jong Chan Kim; Hiroshi Mizuseki; Yoshiyuki Kawazoe
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  Chemistry, an Asian journal     Volume:  5     ISSN:  1861-471X     ISO Abbreviation:  Chem Asian J     Publication Date:  2010 Jun 
Date Detail:
Created Date:  2010-06-02     Completed Date:  2010-09-07     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101294643     Medline TA:  Chem Asian J     Country:  Germany    
Other Details:
Languages:  eng     Pagination:  1341-6     Citation Subset:  -    
LG Chem. Ltd., Research Park, Daejeon, 305-380 Korea.
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