Electronic structure of thiophenes and phtalocyanines
- and others
The results of x-ray fluorescence measurements of thiophenes [regioregular poly 3-hexylthiophene (P3HT) and {alpha},{omega}-dihexylquaterthiophene (DH{alpha}4T)] and phtalocyanines [copper phtalocyanine (CuPc) and copper hexadecafluorophtalocyanine (F{sub 16}CuPc)] are presented. Experimental carbon, nitrogen, fluorine K{alpha} and sulphur, copper L{sub 2,3} x-ray emission spectra are compared with ultraviolet photoemission spectroscopy spectra and deMon density-functional theory calculations of model molecules. We find that the carbon K{alpha} emission is almost identical for P3HT and DH{alpha}4T. This indicates that the electronic structure of the {pi} system is not affected by the presence of the side group. The ratio of emission intensities of the Cu L{sub 2} to Cu L{sub 3} intensities is found to be smaller by a factor of 2 for CuPc and F{sub 16}CuPc than it is for pure metal. This demonstrates the strong covalency in phalocyanines.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- (US)
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 40277188
- Report Number(s):
- LBNL/ALS-43311; TRN: US0109746
- Journal Information:
- Physical Review B, Vol. 64, Issue 4; Other Information: DOI: 10.1103/PhysRevB.64.045211; Othernumber: PRBMDO000064000004045211000001; 084124PRB; PBD: 15 Jul 2001; ISSN 0163-1829
- Publisher:
- The American Physical Society
- Country of Publication:
- United States
- Language:
- English
Similar Records
Helical Poly(5-alkyl-2,3-thiophene)s: Controlled Synthesis and Structure Characterization
FTIR spectroscopic study of thiophene, SO[sub 2], and CO adsorption on Cu/Al[sub 2]O[sub 3] catalysts