Elektronenspektren und Elektronenstruktur von 9,9'‐Dianthryl

Schneider, F.; Lippert, Ernest L.

doi:10.1002/bbpc.19680720917

Cited by 54 publications

(3 citation statements)

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“…Symmetry breaking charge transfer (SBCT) in excited dimers and symmetric donor-acceptor chromophoric aggregates has been studied for several decades with increasing intensity. [1][2][3][4][5][6][7][8][9][10][11][12][13][14] This process is considered a promising tool for efficient charge separation and energy conversion in organic electronics 15,16 as well as in biological systems. 17,18 This is due to the fact that it occurs in an activationless regime 19 and, therefore, very quickly.…”

Section: Introductionmentioning

confidence: 99%

“…[28][29][30] The experimental study of SBCT has begun with bianthryl, a symmetric dyad. 1 It has been shown that the interaction of the appearing dipole moment of a molecule with a polar medium can stabilize the state with separated charges. 31 A detailed experimental and theoretical exploration of SBCT in 9,9 ′ -bianthracene was fulfilled.…”

Section: Introductionmentioning

confidence: 99%

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Symmetry breaking charge transfer and control of the transition dipole moment in excited octupolar molecules

Siplivy,

Ivanov

2024

The Journal of Chemical Physics

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The structure of the energy levels of excited symmetric donor–acceptor octupolar molecules suggests a completely symmetric state and a degenerate doublet. For most molecules, the doublet is the first excited state, which is called the normal level order, but there are molecules with the reverse level order. Symmetry breaking charge transfer (SBCT) and its effect on the transient dipole moment in these structures are studied. It has been established that for reverse level order, SBCT is possible only if the reorganization energy exceeds a certain threshold, whereas for the normal level order, there is no such threshold. The lowest completely symmetric excited state is shown to become bright after SBCT. The dependence of the fluorescence transition dipole moment on the SBCT extent is calculated. It was established that the direction and magnitude of the transition dipole moment change similarly to the change in the dipole moment for the reverse level order, whereas for the normal level order, the changes are opposite. The effect of solvent thermal fluctuations on the transition dipole moment is simulated and discussed. A way for controlling the direction of the transition dipole moment by an external electric field is suggested.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Symmetry breaking charge transfer and control of the transition dipole moment in excited octupolar molecules

Siplivy,

Ivanov

2024

The Journal of Chemical Physics

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“…[5] The CT nature of BA was initially discerned from the positive solvatochromism evident in its steady-state fluorescence spectra. [18,19] Subsequently, a diverse array of time-resolved spectroscopic techniques, including time-resolved absorption, fluorescence, vibrational, and microwave conductivity spectroscopies, has been employed to elucidate the underlying mechanisms governing SB-CT in BA. [20][21][22][23][24][25][26][27][28][29] These experimental approaches collectively proposed that the pivotal factors enabling the formation and stabilization of the CT state in BA are the torsional motion along the CÀ C bond connecting the two anthracene (An) chromophores and the fluctuations of solvation shells.…”

Section: Introductionmentioning

confidence: 99%

Tuning Symmetry‐Breaking Charge Transfer by Altering Connectivity Between Anthracene Chromophores

Kang,

Kim

2023

ChemPhotoChem

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In this study, we report on the dynamics of symmetry‐breaking charge transfer (SB‐CT) in a specific derivative of bianthracene, 9,9’,10,10’‐tetraphenyl‐2,2’‐bianthracene (TPBA). Unlike the conventional 9,9’‐bianthracene, TPBA exhibits a notably planar structure due to reduced steric hindrance between anthracene chromophores. This structural characteristic results in a pronounced short‐range charge transfer coupling, driven by substantial overlap integrals of hole and electron. This is in contrast to the 9,9’‐bianthracene case, where long‐range Coulombic coupling dominates while minimizing short‐range interactions. Consequently, TPBA reveals an adiabatic mixture between locally‐excited and charge‐transfer diabats, where the extent of their contributions is modulated by the dielectric properties of the surrounding environment. Furthermore, our investigation reveals that the SB‐CT reaction in TPBA is mainly influenced by solvation dynamics, akin to other molecules displaying SB‐CT. Additionally, the dynamics of triplet formation in TPBA vary depending on the solvent polarity. These findings underscore the significance of chromophore connectivity in efficiently manipulating excited‐state potential energy landscapes.

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