Document Detail


The origin of the halogen effect on the phthalocyanine green pigments.
MedLine Citation:
PMID:  20397255     Owner:  NLM     Status:  PubMed-not-MEDLINE    
Abstract/OtherAbstract:
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.
Authors:
Sang Uck Lee; Jong Chan Kim; Hiroshi Mizuseki; Yoshiyuki Kawazoe
Related Documents :
14651095 - Improved transparency--nonlinearity trade-off with boroxine-based octupolar molecules.
12410305 - Measurement of the conductance of a hydrogen molecule.
23108175 - Boratabenzene-vanadium sandwich molecular wire and its properties.
16774365 - Imaging and vibrational spectroscopy of single pyridine molecules on ag(110) using a lo...
23288145 - Enhanced electronic contacts in sno(2)-dye-p3ht based solid state dye sensitized solar ...
16259025 - Sigma-pi energy separation in homodesmotic reactions.
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:  -    
Affiliation:
LG Chem. Ltd., Research Park, Daejeon, 305-380 Korea. deugi@lgchem.com
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms
Descriptor/Qualifier:

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


Previous Document:  Hydrogen-Bonding Induced Cooperative Effect on the Energy Transfer in Helical Polynorbornenes Append...
Next Document:  Role of monocytes and macrophages in experimental and human acute liver failure.