Raman Spectroscopy on Free-Base Meso-tetra(4-pyridyl) Porphyrin under Conditions of Low Temperature and High Hydrostatic Pressure

Raman Spectroscopy on Free-Base Meso-tetra(4-pyridyl) Porphyrin under Conditions of Low Temperature and High Hydrostatic Pressure

We present a Raman spectroscopy study of the vibrational properties of free-base meso-tetra(4-pyridyl) porphyrin polycrystals under various temperature and hydrostatic pressure conditions. The combination of experimental results and Density Functional Theory (DFT) calculations allows us to assign mo...

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Bibliographic Details
Published in:Molecules (Basel, Switzerland) Vol. 29; no. 10; p. 2362
Main Authors: Dos Reis, Jhon Rewllyson Torres, Leite, Fabio Furtado, Sharma, Keshav, Ribeiro, Guilherme Almeida Silva, Silva, Welesson Henrique Natanael, Batista, Alzir Azevedo, Paschoal, Alexandre Rocha, Paraguassu, Waldeci, Mazzoni, Mario, Barbosa Neto, Newton Martins, Araujo, Paulo Trindade
Format: Journal Article
Language:English
Published: Switzerland MDPI AG 01-05-2024
Subjects:
hydrostatic pressure
low temperature
Optical properties
Photovoltaic cells
porphyrin
Porphyrins
Raman spectroscopy
resonance Raman spectroscopy
Spectrum analysis
Vibration
porphyrin
hydrostatic pressure
low temperature
resonance Raman spectroscopy
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Summary:We present a Raman spectroscopy study of the vibrational properties of free-base meso-tetra(4-pyridyl) porphyrin polycrystals under various temperature and hydrostatic pressure conditions. The combination of experimental results and Density Functional Theory (DFT) calculations allows us to assign most of the observed Raman bands. The modifications in the Raman spectra when excited with 488 nm and 532 nm laser lights indicate that a resonance effect in the Qy band is taking place. The pressure-dependent results show that the resonance conditions change with increasing pressure, probably due to the shift of the electronic transitions. The temperature-dependent results show that the relative intensities of the Raman modes change at low temperatures, while no frequency shifts are observed. The experimental and theoretical analysis presented here suggest that these molecules are well represented by the C2v point symmetry group.
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ISSN:1420-3049
1420-3049
DOI:10.3390/molecules29102362