| The origin of the halogen effect on the phthalocyanine green pigments. | |
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MedLine Citation:
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PMID: 20397255 Owner: NLM Status: PubMed-not-MEDLINE |
Abstract/OtherAbstract:
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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. |
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Authors:
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Sang Uck Lee; Jong Chan Kim; Hiroshi Mizuseki; Yoshiyuki Kawazoe |
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Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: Chemistry, an Asian journal Volume: 5 ISSN: 1861-471X ISO Abbreviation: Chem Asian J Publication Date: 2010 Jun |
Date Detail:
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Created Date: 2010-06-02 Completed Date: 2010-09-07 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 101294643 Medline TA: Chem Asian J Country: Germany |
Other Details:
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Languages: eng Pagination: 1341-6 Citation Subset: - |
Affiliation:
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LG Chem. Ltd., Research Park, Daejeon, 305-380 Korea. deugi@lgchem.com |
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