TY - JOUR
T1 - Photophysical and photochemical properties and TD-DFT calculations of novel zinc and platinum phthalocyanines
AU - Yilmaz, Yusuf
AU - Mack, John
AU - Şener, M. Kasim
AU - Sönmez, Mehmet
AU - Nyokong, Tebello
N1 - Funding Information:
The authors wish to thank the Scientific and Technological Research Council of Turkey (TUBITAK) and Gaziantep University (Project number: FEF.12.08) for the financial support. This work was also supported by the Rental Pool Program of the CSIR National Laser Centre , the DST/NRF South African Research Chairs Initiative for Professors of Medicinal Chemistry and Nanotechnology and Rhodes University . The theoretical calculations were performed at the Centre for High Performance Computing in Cape Town, South Africa.
PY - 2014/3/1
Y1 - 2014/3/1
N2 - The synthesis and characterization, and spectral, photophysical and photochemical properties of dimethyl 2-(3-methylbut-2-enyl)malonate substituted zinc and platinum phthalocyanines are reported. The phthalocyanines were characterized by electronic absorption, infrared, and nuclear magnetic resonance spectroscopy, mass spectrometry and elemental analysis. Trends observed in the singlet oxygen, photodegradation, fluorescence and triplet state quantum yields and the fluorescence and triplet state lifetimes are described. DFT and TD-DFT calculations were carried out so that the electronic structure and optical spectroscopy of the Pt(II) complex could be compared to that of the Zn(II) complex. As would normally be anticipated, the bulky peripheral substituents were found to enhance the solubility of the complexes in organic solvents.
AB - The synthesis and characterization, and spectral, photophysical and photochemical properties of dimethyl 2-(3-methylbut-2-enyl)malonate substituted zinc and platinum phthalocyanines are reported. The phthalocyanines were characterized by electronic absorption, infrared, and nuclear magnetic resonance spectroscopy, mass spectrometry and elemental analysis. Trends observed in the singlet oxygen, photodegradation, fluorescence and triplet state quantum yields and the fluorescence and triplet state lifetimes are described. DFT and TD-DFT calculations were carried out so that the electronic structure and optical spectroscopy of the Pt(II) complex could be compared to that of the Zn(II) complex. As would normally be anticipated, the bulky peripheral substituents were found to enhance the solubility of the complexes in organic solvents.
KW - Phthalocyanine
KW - Singlet oxygen quantum yields
KW - TD-DFT calculations
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U2 - 10.1016/j.jphotochem.2013.12.010
DO - 10.1016/j.jphotochem.2013.12.010
M3 - Article
AN - SCOPUS:84893145692
SN - 1010-6030
VL - 277
SP - 102
EP - 110
JO - Journal of Photochemistry and Photobiology A: Chemistry
JF - Journal of Photochemistry and Photobiology A: Chemistry
ER -