• Acta Physica Sinica
  • Vol. 68, Issue 18, 183101-1 (2019)
Ke Zhao*, Jun Song, and Han Zhang
DOI: 10.7498/aps.68.20190471 Cite this Article
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 Copy Citation Text show less
Chemical structures of T and T1−T5 molecules.T和T1−T5分子的化学结构式
Fig. 1. 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
Fig. 2. 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
Fig. 3. 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
Fig. 4. 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
Fig. 5. 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
Fig. 6. TPA spectra of the X, Y, Z and T molecules.X, Y, Z和T分子的TPA谱
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 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)
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 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)
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 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)

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
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)
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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