Ultraviolet and visible spectroscopic studies of phthalocyanine and its complexes thin films

Seoudi, R.; El-Bahy, Gamal S.; Sayed, Z.A. El

doi:10.1016/j.optmat.2005.10.002

Cited by 109 publications

(86 citation statements)

References 31 publications

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“…In this case, the divalent cation Pb 2+ exhibited the largest optical band gap probably due to the fact that the outermost orbital in this cation is completed and reflects the electrostatic nature of the coordinated process in these complexes. Similar results were obtained by Seoudi et al [23] for magnesium, manganese, iron, cobalt, zinc and lead phthalocyanines where it was found, that the optical band gap changed significantly depending on the number of electrons in the outer shell of the metal cation [23].…”

Section: Resultssupporting

confidence: 86%

Molecular materials derived from MPc (M=Fe, Pb, Co) and 1,8-dihydroxiantraquinone thin films: Formation, electrical and optical properties

Sánchez-Vergara

Rebollo

Álvarez

et al. 2008

Journal of Physics and Chemistry of Solids

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Section: Resultssupporting

confidence: 86%

Molecular materials derived from MPc (M=Fe, Pb, Co) and 1,8-dihydroxiantraquinone thin films: Formation, electrical and optical properties

Sánchez-Vergara

Rebollo

Álvarez

et al. 2008

Journal of Physics and Chemistry of Solids

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“…Especially, substituted phthalocyanines decompose without sublimation. According to thermal analyses, temperatures of 450e600 C are the limit of thermal treatment under inert gas [35,36]. The thermal properties of the cyclotriphosphazenyl-substituted phthalocyanine derivatives 6e8 and cyclotriposphazene derivatives 2 and 3 were investigated by thermogravimetric analysis.…”

Section: Synthesis and Characterizationmentioning

confidence: 99%

The synthesis, spectroscopic and thermal properties of phenoxycyclotriphosphazenyl-substituted phthalocyanines

et al. 2008

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“…[17][18][19] UV-Vis absorption spectra of ZnPc has been obtained in various media: gas phase, [20][21][22] argon matrices, 23,24 low temperature supersonic jet expansion, 25 solution. 23,[26][27][28] A number of experimental studies of the excited states of ZnPc thin films are available 29,30 as well as the absorption properties of ZnPc adsorbed in Nafion film. 31 Magnetic circular dichroism (MCD) is an important technique that allows studying transitions not observable in typical UV-Vis technique.…”

Section: Introductionmentioning

confidence: 99%

Photophysics and spectroscopic properties of zinc phthalocyanine revisited using quantum chemistry

Ueno¹,

Jayme²,

Silva³

et al. 2012

J. Braz. Chem. Soc.

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Este estudo fornece uma avaliação teórica do comportamento fotofísico da ftalocianina de zinco (FtZn) usando teoria do funcional da densidade (DFT) e a sua abordagem dependente do tempo (TD-DFT), baseado na combinação do funcional híbrido B3LYP e o conjunto de base 6-311+G(d,p). A influência da solvatação foi estimada utilizando o método IEFPCM (modelo do contínuo polarizável) e considerando DMSO (dimetilsulfóxido) como solvente. Os espectros de absorção simulados foram baseados no cálculo dos primeiros 40 estados excitados sendo que os oito picos mais intensos podem ser atribuídos às bandas Q e Soret (B). Comprimento de onda de emissão de fluorescência e tempo de vida radiativo foram calculados utilizando a abordagem TD-DFT e comparados com dados experimentais. O fenômeno de cruzamento intersistema (CIS) da FtZn foi atribuído ao acoplamento spin-órbita induzida pelo Zn 2+ pelo fato dos estados singlete e triplete adjacentes possuirem a mesma simetria orbital. Os dados de fosforescência em fase gasosa também foram comparados.This study provides a theoretical evaluation of the photophysical behavior of zinc phthalocyanine (ZnPc) using density functional theory (DFT) and its time-dependent (TD-DFT) approach, based on the combination of the B3LYP hybrid functional and the 6-311+G(d,p) basis set. The influence of solvation was estimated using IEFPCM (integral equation formalism approach of polarizable continuum model) considering DMSO (dimethyl sulfoxide) as solvent. The simulated absorption spectra were based in the calculation of the first 40 excited states being that the eight most intense peaks could be assigned to the Q and Soret (B) bands. Fluorescence emission wavelength and radiative lifetime were calculated using the TD-DFT approach and compared to experimental data. The ZnPc intersystem crossing (ISC) phenomena was attributed to spin-orbit coupling induced by Zn 2+ since the adjacent singlet and triplet states have the same orbital symmetry. The phosphorescence data in gas phase were also compared.

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Ultraviolet and visible spectroscopic studies of phthalocyanine and its complexes thin films

Cited by 109 publications

References 31 publications

Molecular materials derived from MPc (M=Fe, Pb, Co) and 1,8-dihydroxiantraquinone thin films: Formation, electrical and optical properties

Molecular materials derived from MPc (M=Fe, Pb, Co) and 1,8-dihydroxiantraquinone thin films: Formation, electrical and optical properties

The synthesis, spectroscopic and thermal properties of phenoxycyclotriphosphazenyl-substituted phthalocyanines

Photophysics and spectroscopic properties of zinc phthalocyanine revisited using quantum chemistry

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