Acta Physica Sinica, Volume. 68, Issue 18, 183101-1(2019)

Effects of donor position and number on two-photon absorption properties of tetraphenylethylene derivatives

Ke Zhao*, Jun Song, and Han Zhang
Figures & Tables(10)
Chemical structures of T and T1−T5 molecules.T和T1−T5分子的化学结构式
Optimized geometries of the T and T1−T5 molecules优化的T和T1−T5分子的结构
Chemical structures and optimized geometries of the R, S and U molecules.R, S和U分子的化学结构式和优化的几何结构
The A and B parts of the T molecule.T分子的A和B两部分
Chemical structures and optimized geometries of the X, Y and Z molecules.X, Y和Z分子的化学结构式和优化几何结构
TPA spectra of the X, Y, Z and T molecules.X, Y, Z和T分子的TPA谱
  • Table 1. The TPA wavelength (nm) and the TPA cross section (GM) of the lowest six excited states. 分子六个最低激发态的TPA波长 (nm)和TPA截面 (GM)

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    Table 1. The TPA wavelength (nm) and the TPA cross section (GM) of the lowest six excited states. 分子六个最低激发态的TPA波长 (nm)和TPA截面 (GM)

    TT1T2T3T4T5
    ${\lambda _{{\rm{tp}}}}$/nm $\sigma $/GM ${\lambda _{{\rm{tp}}}}$/nm $\sigma $/GM ${\lambda _{{\rm{tp}}}}$/nm $\sigma $/GM ${\lambda _{{\rm{tp}}}}$/nm $\sigma $/GM ${\lambda _{{\rm{tp}}}}$/nm $\sigma $/GM ${\lambda _{{\rm{tp}}}}$/nm $\sigma $/GM
    S1743719743696740707738672743638743629
    S26504649265110651665286534
    S3612944612858614893612873615880615827
    S4572305572334578212575259578136580175
    S5556355655574556555745575
    S65401554095422540554235412
  • Table 2. The TPA wavelength (nm) and the TPA cross section (GM) of the lowest six excited states. 分子六个最低激发态的TPA波长 (nm)和TPA截面 (GM)

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    Table 2. The TPA wavelength (nm) and the TPA cross section (GM) of the lowest six excited states. 分子六个最低激发态的TPA波长 (nm)和TPA截面 (GM)

    RSU
    ${\lambda _{{\rm{tp}}}}$/nm $\sigma $/GM ${\lambda _{{\rm{tp}}}}$/nm $\sigma $/GM ${\lambda _{{\rm{tp}}}}$/nm $\sigma $/GM
    S1719500729646754769
    S263127642196587
    S3595597603785621931
    S45574567640580118
    S555685355745574
    S6540995412954111
  • Table 3.

    Net charges (unit: e) for divided parts of the molecules in the ground states and in the first excited states.

    分子各部分的基态电荷和第一激发态电荷(单位: e)

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    Table 3.

    Net charges (unit: e) for divided parts of the molecules in the ground states and in the first excited states.

    分子各部分的基态电荷和第一激发态电荷(单位: e)

    QA0/eQA1/eQA/eQB0/eQB1/eQB/e
    T0.02980.39780.3680– 0.0298– 0.3978– 0.3680
    T20.02920.39010.3609– 0.0292– 0.3901– 0.3609
    T40.02940.40660.3772– 0.0294– 0.4066– 0.3772
    R0.02710.31360.2865– 0.0271– 0.3136– 0.2865
    S0.02840.35260.3242– 0.0284– 0.3526– 0.3242
    U0.03050.43400.4305– 0.0305– 0.4340– 0.4305
  • Table 4. The TPA wavelength (nm) and the TPA cross section (GM) of the lowest six excited states. 分子六个最低激发态的TPA波长 (nm)和TPA截面 (GM)

    View table
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    Table 4. The TPA wavelength (nm) and the TPA cross section (GM) of the lowest six excited states. 分子六个最低激发态的TPA波长 (nm)和TPA截面 (GM)

    XYZ
    ${\lambda _{{\rm{tp}}}}$/nm $\sigma $/GM ${\lambda _{{\rm{tp}}}}$/nm $\sigma $/GM ${\lambda _{{\rm{tp}}}}$/nm $\sigma $/GM
    S174794782415438022259
    S2663406347376021362
    S3615190657917635821
    S456015769154057
    S554265570606527738
    S6525502560505464
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Ke Zhao, Jun Song, Han Zhang. Effects of donor position and number on two-photon absorption properties of tetraphenylethylene derivatives[J]. Acta Physica Sinica, 2019, 68(18): 183101-1

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Paper Information

Received: Apr. 1, 2019

Accepted: --

Published Online: Jun. 28, 2020

The Author Email:

DOI:10.7498/aps.68.20190471

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