Spectra of porphyrins

Gouterman, Martin; Wagnière, G.; Snyder, Lawrence C.

doi:10.1016/0022-2852(63)90011-0

Cited by 863 publications

(427 citation statements)

References 25 publications

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“…Free-base porphyrins exhibit a strong Soret band absorption in the near-UV/blue portion of the spectrum and four lower-intensity Q bands at longer wavelengths (26). The Soret bands for the sensitizers studied in this work ( Fig.…”

Section: Resultsmentioning

confidence: 72%

“…We can observe the effect of symmetry if we compare TMP, DMP, and MMP. Generally, the four-orbital model is used to describe the absorption spectra of porphyrins (26,35). With free-base porphyrins, the N-H protons on the pyrrole core reduce the overall symmetry of the molecule and split the Q bands into Q x and Q y components.…”

Section: Discussionmentioning

confidence: 99%

“…Substitution at the meso position shifts the energy of one highest occupied molecular orbital (HOMO) and both lowest unoccupied molecular orbitals (LUMOs). The other HOMO orbital has a nodal plane at the meso position and is unaffected (26). With each additional mesityl group, the molecule becomes more symmetric electronically, the Q bands shift by 6-8 nm to the red, and the molar extinction coefficients increase.…”

Section: Discussionmentioning

confidence: 99%

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Metal-free organic sensitizers for use in water-splitting dye-sensitized photoelectrochemical cells

Swierk¹,

Méndez-Hernández

McCool³

et al. 2015

Proc. Natl. Acad. Sci. U.S.A.

138

107

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Solar fuel generation requires the efficient capture and conversion of visible light. In both natural and artificial systems, molecular sensitizers can be tuned to capture, convert, and transfer visible light energy. We demonstrate that a series of metal-free porphyrins can drive photoelectrochemical water splitting under broadband and red light (λ > 590 nm) illumination in a dye-sensitized TiO2 solar cell. We report the synthesis, spectral, and electrochemical properties of the sensitizers. Despite slow recombination of photoinjected electrons with oxidized porphyrins, photocurrents are low because of low injection yields and slow electron self-exchange between oxidized porphyrins. The free-base porphyrins are stable under conditions of water photoelectrolysis and in some cases photovoltages in excess of 1 V are observed.

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Section: Resultsmentioning

confidence: 72%

Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

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Metal-free organic sensitizers for use in water-splitting dye-sensitized photoelectrochemical cells

Swierk¹,

Méndez-Hernández

McCool³

et al. 2015

Proc. Natl. Acad. Sci. U.S.A.

138

107

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show abstract

“…However this interpretation is incompatible with the calculated results for either Lla= 5.5 eV or 11 eV. As shown in Table 1 At Lla= 11 eV the B band intensity appears in two transitions at 28370cm- 1 and 30310 em -t and an electronic band with .f 2 = 0.07 is predicted to be between Q and B. Actually two pieces of data confirm the spreading of B band intensity:…”

Section: Scmo-ppp-ci Energies and Oscillator Strengths A) Methodsmentioning

confidence: 73%

“…Gouterman and Wagniere [1] showed that the four orbital model could explain many of the observed features of porphyrin spectra. The model is based on the assumption that transitions between the two top filled orbitals and the two lowest empty are relatively well separated from the remainder.…”

Section: Introductionmentioning

confidence: 99%

Porphyrins XXIV. Energy, oscillator strength, and Zeeman splitting calculations (SCMO-CI) for phthalocyanine, porphyrins, and related ring systems

McHugh

Gouterman

WeissJr.

1972

Theoret. Chim. Acta

Self Cite

225

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Labile Electronic Ground State of the π-Cation Radical of Zinc(II) Tetraphenylporphyrin: a Variable-temperature ESR Investigation

Dave

Srinivas

1998

J. Porphyrins Phthalocyanines

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The UV-vis and variable-temperature X-band EPR spectral studies (298–77 K) on π-cation of zinc(II) tetraphenylporphyrin ( ZnTPP ) have revealed for the first time a labile electronic ground state. The electronic structure changes from 2 A 2u to 2 A 1u as the temperature is lowered from 298 to 150 K. Axial ligands and σ-donor solvents show a significant effect on the spectral data. The lability in the ground state electronic configuration is attributed to the flexibility of the porphyrin moiety in changing from a ‘ruffled’ to a lower symmetry.

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Spectra of porphyrins

Cited by 863 publications

References 25 publications

Metal-free organic sensitizers for use in water-splitting dye-sensitized photoelectrochemical cells

Metal-free organic sensitizers for use in water-splitting dye-sensitized photoelectrochemical cells

Porphyrins XXIV. Energy, oscillator strength, and Zeeman splitting calculations (SCMO-CI) for phthalocyanine, porphyrins, and related ring systems

Labile Electronic Ground State of the π-Cation Radical of Zinc(II) Tetraphenylporphyrin: a Variable-temperature ESR Investigation

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