Intramolecular Charge Transfer Excited State Relaxation Processes in Para-Substituted N,N-Dimethylaniline: A Theoretical Study Including Solvent Effects

Gorse, Alain-Dominique; Pesquer, M.

doi:10.1021/j100012a026

Cited by 145 publications

(126 citation statements)

References 5 publications

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“…Roos et al [8] demonstrated that the pyramidalization of DMABN does not lead to any markedly polar structures. Very similar results are obtained by Gorse and Pesquer [30] for both, DMABN and the benzaldehyde derivative DMABA, including the solvation effects calculated for strongly polar solvents. But even a simple qualitative inspection of the symmetry rules for vibronic coupling [31] compels us to reject the concept of inversion.…”

Section: Inversional Mode?supporting

confidence: 86%

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Picosecond Transient Absorption Spectra and the Twisted Intramolecular Charge Transfer Phenomenon

et al. 1995

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An improved model of a ckputer-controlled picosecond absorption spectrometer was designed and constructed. Its operatioii is described, and applied to the measurement of transient spectra of p-N, N-dioctylamino--acetophenone. The spectroscopy and photophysics of this ckpound are ckpared to the other ckpounds exhibiting the dual fluorescence, assigned usually to the adiabatic formation of the "twisted" intramolecular charge transfer excited state. The data are discussed in relatioii to alternative suggestion of an inversioii of the pyramidal amino nitrogen atk. The whole evidence supports the decoupling of the π-electronic systems of D+ and A-in the D+-A -polar excited state, in full accord with the "twisted" intramolecular charge transfer model. The peculiar behaviour of the long alkyl -NR2 derivatives (favouring the "twisted" intramolecular charge transfer state emission) seems to be primarily due to the decreasing oxidation potential of such electron donor groups.

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Section: Inversional Mode?supporting

confidence: 86%

“…The TICT model of the stuctural change is also supported by all quantum chemical calculations, e.g. [8,9,30].…”

Section: The Nature Of the Highly Polar Statementioning

confidence: 59%

Picosecond Transient Absorption Spectra and the Twisted Intramolecular Charge Transfer Phenomenon

et al. 1995

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“…In general, the excited states in organic molecular systems can be classified into two categories considering the binding energy: the CT state and local excited (LE) state [50,51]. The relatively weak binding energy of CT state benefits the spin mixing between singlet state and triplet state, and further affords the possibility to realize RISC [52]. Nevertheless, the molecules based on CT state always show low radiative transition rate and poor PL efficiency, which is mainly caused by the spatially separated transition orbital of CT state.…”

Section: The Design Principle For the S 1 State Of Hot Exciton Materialsmentioning

confidence: 99%

Reverse intersystem crossing from upper triplet levels to excited singlet: a ‘hot excition’ path for organic light-emitting diodes

Yao

Yang

et al. 2015

Phil. Trans. R. Soc. A.

116

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Since researches on the fate of highly excited triplet states demonstrated the existence of reverse intersystem crossing (RISC) from upper triplet levels to singlet manifold in naphthalene, quinoline, isoquinoline, etc. in the 1960s, this unique photophysical process was then found and identified in some other aromatic materials. However, the early investigations mainly focus on exploring the mechanism of this photophysical process; no incorporation of specific application was implemented. Until recently, our group innovatively used this ‘sleeping’ photophysical process to enhance the efficiency of fluorescent organic light-emitting diodes by simultaneously harvesting singlet and triplet excitons. Efforts are devoted to developing materials with high photoluminescence efficiency and effective RISC through appropriate molecular design in a series of donor–acceptor material systems. The experimental and theoretical results indicate that these materials exhibit hybridized local and charge-transfer excited state, which achieve a combination of the high radiation from local excited state and the high T m → S n ( m ≥2, n ≥1) conversion along charge-transfer excited state. As expected, the devices exhibited favourable external quantum efficiency and low roll-off, and especially an exciton utilization efficiency exceeding the limit of 25%. Considering the significant progress made in organic light-emitting diodes with this photophysical process, we review the relevant mechanism and material systems, as well as our design principle in materials and device application.

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“…The later, however, exhibits a red-shifted fluorescence and is ascribed to the emission of the intramolecular charge transfer (ICT) state. Since then, the dual fluorescence was observed in a variety of compounds such as nonsubstituted linear polyenes and donor-acceptor systems that are similar to the 4-aminobenzonitriles (4DMAB-CN) in structure [2][3][4][5][6][7][8][9][10][11][12][13][14][15][16]. For the purpose of explaining the mechanism of dual fluorescence, the ''twisted intramolecular charge transfer'' (TICT) model [17][18][19][20] was put forward by Grabowski and co-workers based on the molecular structure of ICT state and fluorescence behavior of DMABN.…”

Section: Introductionmentioning

confidence: 99%

“…In this model, the dimethylamino group of DMABN is postulated to twist perpendicularly to the benzene plane in the ICT state, thus the charge recombination is hindered because of the ''principle of minimum overlap''. Soon after, the TICT model was accepted widely as its validity was confirmed by a large number of experimental observations [21][22][23][24][25] and theoretical investigations [2][3][4][5][6][7][8][9][10][11][12][13][14][15][16]. Recent vibrational spectroscopy experiments [24,25] in favor of TICT suggested that the C(phenyl)-N(amino) bond of ICT state in DMABN tends to be lengthened, which implies an electronic decoupling between the donor and the acceptor.…”

Section: Introductionmentioning

confidence: 99%

An anti-quinoid structure in dual fluorescence of fluozazene molecule and solvent effect of intramolecular charge transfer

2007

Chemical Physics

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Intramolecular Charge Transfer Excited State Relaxation Processes in Para-Substituted N,N-Dimethylaniline: A Theoretical Study Including Solvent Effects

Cited by 145 publications

References 5 publications

Picosecond Transient Absorption Spectra and the Twisted Intramolecular Charge Transfer Phenomenon

Picosecond Transient Absorption Spectra and the Twisted Intramolecular Charge Transfer Phenomenon

Reverse intersystem crossing from upper triplet levels to excited singlet: a ‘hot excition’ path for organic light-emitting diodes

An anti-quinoid structure in dual fluorescence of fluozazene molecule and solvent effect of intramolecular charge transfer

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