Localized and Delocalized Electronic Transitions in Diphenylacetylene, Stilbene and Diphenylbutadiene

Tanizaki, Yoshié; Inoue, Hiroyasu; Hoshi, Toshihiko; Shiraishi, Junko

doi:10.1524/zpch.1971.74.1_2.045

Cited by 26 publications

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“…The absorption band of DPA observed at 290 mn was assigned to the 1B1u state, while the lowest excited singlet state was predicted to be 2 1Αg state [8]. Recent INDO/S calculation predicted that the S1 state has Au symmetry [6].…”

Section: Introductionmentioning

confidence: 99%

“…The thermally activated S2 <-S1 internal conversion was not negligible and the sum of the rate constants of 52 → S1 and S2 ←S1 internal conversions was estimated to be about Recently, characters of the low lying excited singlet states of diphenylacetylene (DPA) and its derivatives have been studied in the solution phase [1][2][3][4][5][6][7]. The absorption band of DPA observed at 290 mn was assigned to the 1B1u state, while the lowest excited singlet state was predicted to be 2 1Αg state [8]. Recent INDO/S calculation predicted that the S1 state has Au symmetry [6].…”

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Photophysical Properties of Diphenylacetylene and Diphenylbutadiyne Derivatives in Solution Phase

1998

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By using the femtosecond and picosecond transient absorption measurement techniques, we have investigated diphenylatetylene, diphenylbutadiyne, and their methoxy and cyano derivatives in the solution phase.Both the rapid S2 → S1 internal conversion in the subpicosecond time scale and the triplet formation in the tens of picosecond region were observed for diphenylbutadiyne and its methoxy derivatives, while the dynamic behavior of dimethoxy-diphenylacetylene was quite similar to that of diphenylacetylene. The level inversion of the lowest excited singlet states of dicyano-diphenylbutadiyne was observed. The thermally activated S2 <-S1 internal conversion was not negligible and the sum of the rate constants of 52 → S1 and S2 ←S1 internal conversions was estimated to be about Recently, characters of the low lying excited singlet states of diphenylacetylene (DPA) and its derivatives have been studied in the solution phase [1][2][3][4][5][6][7]. The absorption band of DPA observed at 290 mn was assigned to the 1B1u state, while the lowest excited singlet state was predicted to be 2 1Αg state [8]. Recent INDO/S calculation predicted that the S1 state has Au symmetry [6]. Under the supersonic beam conditions, the energy gap between the 1Β1u and 2 1Αg states is less *The results of this paper were initially presented at

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Section: Introductionmentioning

confidence: 99%

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confidence: 99%

Photophysical Properties of Diphenylacetylene and Diphenylbutadiyne Derivatives in Solution Phase

1998

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“…Finally, the two-photon resonant, four-photon ionization spectrum of Reference 2 reveals bands that do not appear at all in the fluorescence excitation spectrum. With their experimental information and the results of calculations 13 pertaining to excited-state energies, the authors of Reference 2 concluded that bands A and B belong to an electronic state of Bu symmetry, bands a and b belong to a state with Bzu symmetry, and the two-photon-resonant bands belong to a state with Ag symmetry. The RCS results on bare tolane lead to one unequivocal conclusion regarding the symmetries of vibronic states, that is, that the A, a, and b…”

Section: A Excited States Of Tolanementioning

confidence: 99%

Rotational Coherence Spectroscopy and Excited‐State Dynamics of Tolane and its Van Der Waals Complexes with Argon and Nitrogen

1994

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We report the results of rotational coherence spectroscopy on tolane, tolane–Ar, and tolane–N2. The results on tolane are consistent with a planar geometry for the species. They also provide information about the symmetries of excited vibronic states in the species. The results on the van der Waals complexes provide significant experimental constraints on where the small species bind to tolane. In addition, we report the observation of a rapid excited-state decay process in the complexes and discuss the possible nature of this process.

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“…These dendrimers show much promise in applications such as photoactive arrays in polymeric systems [2] and single-molecular light emitting diodes (LEDs) [3]. Tolane has been studied more than any other dendrimer segment [4,5,6,7,8,9,10,11,12,13], and an overall mechanism of its photo-relaxation is emerging, but not yet complete.…”

Section: Introductionmentioning

confidence: 99%

Modelling the non-radiative singlet excited state isomerization of diphenyl-acetylene: A vibronic coupling model

Robertson

Worth

2018

Chemical Physics

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Tolane (diphenyl-acetylene) is the smallest component of macromolecular arrays known as dendrimers that have interesting energy transport properties after photo-excitation. In this paper, a vibronic coupling Hamiltonian is set up to describe the initial internal conversion of this molecule. The calculated absorption spectrum is in good agreement with experiment, with the ordering of states and energies from MRCI-DFT calculation. The focus of the study is the pathway for photo-excited isomerisation from the linear geometry at the Frank-Condon point to a trans-structure. The model shows that the origin of the excited-state minimum for the trans-isomer is due to stabilisation of a high lying state. Quantum dynamics calculations using the MCTDH algorithm show the model agrees with experiment that isomerisation only occurs at high temperature. It also suggests that internal conversion to the S 1 global minima happens via second order coupling terms, which can explain the observed picosecond timescales.

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Localized and Delocalized Electronic Transitions in Diphenylacetylene, Stilbene and Diphenylbutadiene

Cited by 26 publications

References 0 publications

Photophysical Properties of Diphenylacetylene and Diphenylbutadiyne Derivatives in Solution Phase

Photophysical Properties of Diphenylacetylene and Diphenylbutadiyne Derivatives in Solution Phase

Rotational Coherence Spectroscopy and Excited‐State Dynamics of Tolane and its Van Der Waals Complexes with Argon and Nitrogen

Modelling the non-radiative singlet excited state isomerization of diphenyl-acetylene: A vibronic coupling model

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