Effects of torsional disorder and position isomerism on two-photon absorption properties of polar chromophore dimers

Jia, H. M.; Zhao, Ke; Xiang-Lian, None Wu

doi:10.1016/j.cplett.2014.08.022

Cited by 9 publications

(9 citation statements)

References 30 publications

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“…The structures with different branched orientations could model the various arrangements of the aggregates. It has been demonstrated that some relative orientations of the branches in multi-branching chromophores could achieve cooperative TPA enhancement. , From Figure , one can also notice that the central two benzene rings do not lie on one plane. The torsional angle between them is about 38° for all of the isomers.…”

Section: Results and Discussionmentioning

confidence: 99%

“…reported that the TPA cross section of porphycenes is much larger than that of its isomer, porphyrin . In our previous work, we investigated the TPA properties of a series of dipolar molecules and their dimers. , The influences of dimerization and isomerism were analyzed for achieving cooperative TPA enhancement.…”

Section: Introductionmentioning

confidence: 99%

“…19 In our previous work, we investigated the TPA properties of a series of dipolar molecules and their dimers. 21,22 The influences of dimerization and isomerism were analyzed for achieving cooperative TPA enhancement.…”

Section: Introductionmentioning

confidence: 99%

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Dimerization and Isomerism Effects on Two-Photon Absorption of Tetraphenylethene Derivatives and Molecular Design for Two-Photon Absorption Materials

et al. 2016

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The two-photon absorption (TPA) properties of a new tetraphenylethene derivative and its covalent dimers have been calculated employing the density functional response theory. It is found that linear arrangement of branches can give rise to a cooperative TPA behavior. Partial planarity and linear arrangement are the possible reasons for the observed aggregation-induced TPA enhancement. On the basis of the model molecule, we have designed a series of tetraphenylethene derivatives which differ by donor moieties, connection modes, or central bridges after taking the structure-property relationship of TPA mechanism into account. The TPA spectra of the designed molecules have been calculated, and their TPA properties are analyzed at length. Our results suggest that the change of the connection mode of the carbazole group and the introduction of a vinylene or ethynylene linkage into a molecule can enhance TPA intensity greatly. It can be expected that all of the designed molecules could possess high TPA features. This research is helpful for the design of efficient TPA materials.

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Section: Results and Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Dimerization and Isomerism Effects on Two-Photon Absorption of Tetraphenylethene Derivatives and Molecular Design for Two-Photon Absorption Materials

et al. 2016

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“…The macroscopic TPA cross-section that can directly compare with the experimental value is defined as:

where a 0 is the Bohr radius, α the fine structure constant, c is the speed of the light, and ħω is the incident photon energy. g ( ω ) provides the spectral line profile, and the lifetime broadening of the final state Γ is assumed to be a typical value of 0.1 eV [ 33 ]. δ TPA is the microscopic TPA cross-section which is given by the orientational averaging over the two-photon transition probability.…”

Section: Theoretical Methods and Computational Detailsmentioning

confidence: 99%

Theoretical Studies on Two-Photon Fluorescent Hg2+ Probes Based on the Coumarin-Rhodamine System

Zhang

Leng

2017

Sensors

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The development of fluorescent sensors for Hg2+ has attracted much attention due to the well-known adverse effects of mercury on biological health. In the present work, the optical properties of two newly-synthesized Hg2+ chemosensors based on the coumarin-rhodamine system (named Pro1 and Pro2) were systematically investigated using time-dependent density functional theory. It is shown that Pro1 and Pro2 are effective ratiometric fluorescent Hg2+ probes, which recognize Hg2+ by Förster resonance energy transfer and through bond energy transfer mechanisms, respectively. To further understand the mechanisms of the two probes, we have developed an approach to predict the energy transfer rate between the donor and acceptor. Using this approach, it can be inferred that Pro1 has a six times higher energy transfer rate than Pro2. Thus the influence of spacer group between the donor and acceptor on the sensing performance of the probe is demonstrated. Specifically, two-photon absorption properties of these two probes are calculated. We have found that both probes show significant two-photon responses in the near-infrared light region. However, only the maximum two-photon absorption cross section of Pro1 is greatly enhanced with the presence of Hg2+, indicating that Pro1 can act as a potential two-photon excited fluorescent probe for Hg2+. The theoretical investigations would be helpful to build a relationship between the structure and the optical properties of the probes, providing information on the design of efficient two-photon fluorescent sensors that can be used for biological imaging of Hg2+ in vivo.

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“…ħ ω is the photon energy of the incident light. g (ω) is the spectral line profile, which is assumed to be a δ function here, and Γ f is level broadening of the final state, which is taken as a typical value of 0.1 eV [ 28 ]. δ tpa is the orientational averaging value of the TPA probability [ 27 ].…”

Section: Theoretical Methods and Computational Detailsmentioning

confidence: 99%

Energy Donor Effect on the Sensing Performance for a Series of FRET-Based Two-Photon Fluorescent Hg2+ Probes

Zhang

2017

Materials

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Nonlinear optical properties of a series of newly-synthesized molecular fluorescent probes for Hg2+ containing the same acceptor (rhodamine group) are analyzed by using time-dependent density functional theory in combination with analytical response theory. Special emphasis is placed on evolution of the probes’ optical properties in the absence and presence of Hg2+. These compounds show drastic changes in their photoabsorption and photoemission properties when they react with Hg2+, indicating that they are excellent candidates for ratiometric and colorimetric fluorescent chemosensors. Most importantly, the energy donor moiety is found to play a dominant role in sensing performance of these probes. Two-photon absorption cross sections of the compounds are increased with the presence of Hg2+, which theoretically suggests the possibility of the probes to be two-photon fluorescent Hg2+ sensors. Moreover, analysis of molecular orbitals is presented to explore responsive mechanism of the probes, where the fluorescence resonant energy transfer process is theoretically demonstrated. Our results elucidate the available experimental measurements. This work provides guidance for designing efficient two-photon fluorescent probes that are geared towards biological and chemical applications.

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Effects of torsional disorder and position isomerism on two-photon absorption properties of polar chromophore dimers

Cited by 9 publications

References 30 publications

Dimerization and Isomerism Effects on Two-Photon Absorption of Tetraphenylethene Derivatives and Molecular Design for Two-Photon Absorption Materials

Dimerization and Isomerism Effects on Two-Photon Absorption of Tetraphenylethene Derivatives and Molecular Design for Two-Photon Absorption Materials

Theoretical Studies on Two-Photon Fluorescent Hg2+ Probes Based on the Coumarin-Rhodamine System

Energy Donor Effect on the Sensing Performance for a Series of FRET-Based Two-Photon Fluorescent Hg2+ Probes

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