Spectra of porphyrins

Eastwood, DeLyle; Edwards, L. O.; Gouterman, Martin; Steinfeld, J. I.

doi:10.1016/0022-2852(66)90009-9

Cited by 84 publications

(32 citation statements)

References 20 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…If the perturbation from D 4 h symmetry is small, 17 may remain close to unity as in Eq. (18). However for certain large perturbations a negative 17 may occur.…”

Section: C) Degenerate Case B(a---+j) Termmentioning

confidence: 97%

“…(18) 19 or a 29 symmetry but will transform as (20) replacing Eq. (18). If the perturbation from D 4 h symmetry is small, 17 may remain close to unity as in Eq.…”

Section: C) Degenerate Case B(a---+j) Termmentioning

confidence: 98%

“…Phthalocyanine energy levels, including those derived from vapor phase spectra of ZnPc and CuPc [18], are given in Fig. 4.…”

Section: D) Phthalocyaninementioning

confidence: 99%

See 2 more Smart Citations

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

225

View full text Add to dashboard Cite

“…If the perturbation from D 4 h symmetry is small, 17 may remain close to unity as in Eq. (18). However for certain large perturbations a negative 17 may occur.…”

Section: C) Degenerate Case B(a---+j) Termmentioning

confidence: 97%

“…(18) 19 or a 29 symmetry but will transform as (20) replacing Eq. (18). If the perturbation from D 4 h symmetry is small, 17 may remain close to unity as in Eq.…”

Section: C) Degenerate Case B(a---+j) Termmentioning

confidence: 98%

See 1 more Smart Citation

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

225

View full text Add to dashboard Cite

“…The phthalocyanines have been examined in the solid state, [7][8][9][10][11] in the gas phase, [12][13][14] free expansions, 15,16 and in helium droplets. 17,18 In contrast, high resolution spectroscopy of the parent molecule H 2 TAP appears to have only been studied in Shpol'skii organic matrices [19][20][21][22] where large (∼53 cm −1 ) siteinduced tautomeric splitting complicates the analysis of the fluorescence spectra.…”

Section: Introductionmentioning

confidence: 99%

Free base tetraazaporphine isolated in inert gas hosts: Matrix influence on its spectroscopic and photochemical properties

Henchy

McCaffrey

Arabei

et al. 2014

The Journal of Chemical Physics

View full text Add to dashboard Cite

The absorption, fluorescence, and excitation spectra of free base tetraazaporphine (H 2 TAP) trapped in Ne, N 2 , and Ar matrices have been recorded at cryogenic temperatures. Normal Raman spectra of H 2 TAP were recorded in KBr discs and predicted with density functional theory (DFT) using large basis sets calculations. The vibrational frequencies observed in the Raman Spectrum exhibit reasonable agreement with those deduced from the emission spectra, as well as with frequencies predicted from large basis set DFT computations. The upper state vibrational frequencies, obtained from highly resolved, site selected excitation spectra, are consistently lower than the ground state frequencies. This contrasts with the situation in free base phthalocyanine, where the upper state shows little changes in vibrational frequencies and geometry when compared with the ground state. Investigations of the photochemical properties of H 2 TAP isolated in the three matrices have been performed using the method of persistent spectral hole-burning (PSHB). This technique has been used to reveal sites corresponding to distinct N-H tautomers which were not evident in the absorption spectra. An analysis of the holes and antiholes produced with PSHB in the Q x (0-0) absorption band made it possible to identify inter-conversion of distinct host sites. © 2014 AIP Publishing LLC.

show abstract

“…Thus the electronic spectroscopy of both molecules have been reported in the gas phase, 4,5 in low-temperature jets, [6][7][8] in He droplets 9,10 and in thin films. 11 The two molecules have also been studied in cryogenic matrices: either in Shpol'skii organic matrices [12][13][14] or isolated in the solid rare gases.…”

Section: Introductionmentioning

confidence: 99%

Visible luminescence spectroscopy of free-base and zinc phthalocyanines isolated in cryogenic matrices

Murray

Dozova

McCaffrey

et al. 2011

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

The absorption, emission and excitation spectra of ZnPc and H 2 Pc trapped in Ne, N 2 , Ar, Kr and Xe matrices have been recorded in the region of the Q states. A comparison of the matrix fluorescence spectra with Raman spectra recorded in KBr pellets reveals very strong similarities. This is entirely consistent with the selection rules and points to the occurrence of only fundamental vibrational transitions in the emission spectra. Based on this behaviour, the vibronic modes in emission have been assigned using results obtained recently on the ground state with large basis-set DFT calculations [Murray et al. PCCP, 12, 10406 (2010)]. Furthermore, the very strong mirror symmetry between excitation and emission has allowed these assignments to be extended to the excitation (absorption) bands. While this approach works well for ZnPc, coupling between the band origin of the S 2 (Q Y ) state and vibrationally excited levels of S 1 (Q X ), limits the range of its application in H 2 Pc. The Q X /Q Y state coupling is analysed from data obtained from site-selective excitation spectra, revealing pronounced matrix and site effects. From this analysis, the splitting of the Q X and Q Y states has been determined more accurately than in any previous attempts.

show abstract

Spectra of porphyrins

Cited by 84 publications

References 20 publications

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

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

Free base tetraazaporphine isolated in inert gas hosts: Matrix influence on its spectroscopic and photochemical properties

Visible luminescence spectroscopy of free-base and zinc phthalocyanines isolated in cryogenic matrices

Contact Info

Product

Resources

About