• Chinese Physics B
  • Vol. 29, Issue 8, (2020)
Han Zhang, Zhe Shao, and Ke Zhao
Author Affiliations
  • School of Physics and Electronics, Shandong Normal University, Jinan 250358, China
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    DOI: 10.1088/1674-1056/aba9b9 Cite this Article
    Han Zhang, Zhe Shao, Ke Zhao. Responsive mechanism and coordination mode effect of a bipyridine-based two-photon fluorescent probe for zinc ion[J]. Chinese Physics B, 2020, 29(8): Copy Citation Text show less
    Chemical structures of the molecules (A and B) and their corresponding zinc complexes.
    Fig. 1. Chemical structures of the molecules (A and B) and their corresponding zinc complexes.
    Optimized geometries of the molecules (A and B) and their corresponding zinc complexes.
    Fig. 2. Optimized geometries of the molecules (A and B) and their corresponding zinc complexes.
    Energy curves from the A to B (a) and from the AZn to BZn (b).
    Fig. 3. Energy curves from the A to B (a) and from the AZn to BZn (b).
    Dihedral angle φ during 2–5 ns simulation.
    Fig. 4. Dihedral angle φ during 2–5 ns simulation.
    TPA spectra of molecules (A and B) and their corresponding zinc complexes.
    Fig. 5. TPA spectra of molecules (A and B) and their corresponding zinc complexes.
    Divided parts of the molecules (A and B) and their corresponding zinc complexes.
    Fig. 6. Divided parts of the molecules (A and B) and their corresponding zinc complexes.
    TPA spectra of molecule A and the structures with decreasing dihedral angle.
    Fig. 7. TPA spectra of molecule A and the structures with decreasing dihedral angle.
    Chemical structures and the corresponding optimized geometries of the zinc complexes AAZn, ABZn, and BBZn.
    Fig. 8. Chemical structures and the corresponding optimized geometries of the zinc complexes AAZn, ABZn, and BBZn.
    TPA spectra of the zinc complexes AAZn, ABZn, and BBZn.
    Fig. 9. TPA spectra of the zinc complexes AAZn, ABZn, and BBZn.
    Mol.λop/nmfopTransition natureλem/nmfemTransition nature
    A368(360)a)2.83S0–S1 H–L(85%)462(465)a)2.99S1–S0 H–L(89%)
    AZn3812.58S0–S1 H–L(84%)4862.78S1–S0 H–L(89%)
    B3552.86S0–S1 H–L(85%)4593.00S1–S0 H–L(85%)
    BZn389(400)a)2.53S0–S1 H–L(87%)491(550)a)2.74S1–S0 H–L(85%)
    Table 1. One-photon absorption and emission properties of the molecules.
    StateAAZnBBZn
    λtp/nmσ/GMλtp/nmσ/GMλtp/nmσ/GMλtp/nmσ/GM
    S175417883572528069
    S262994965629276256006703772
    S355105634205460583996
    S45302077551175269555452236
    S5516265315195159654030
    S6515449528690251416353820
    Table 2. Two-photon absorption wavelengths λtp and cross sections σ of the six lowest excited states of the molecules (A and B) and their corresponding zinc complexes.
    QX0QX1ΔQXQY0QY1ΔQYQZ0QZ1ΔQZ
    A0.0450.1050.060−0.090−0.210−0.1200.0450.1050.060
    AZn0.1080.1670.059−0.216−0.394−0.1780.1080.2270.119
    B0.0460.1090.063−0.093−0.216−0.1230.0470.1070.060
    BZn0.0900.2200.130−0.178−0.460−0.2820.0880.2380.150
    Table 3. Net charges (in units of e) for divided parts of the molecules in the ground states and the first excited states.
    StateAAZnABZnBBZn
    λtp/nmσ/GMλtp/nmσ/GMλtp/nmσ/GM
    S1745378867757
    S273621721187753
    S364792065628546501302
    S4636185262810486443447
    S5589446203160135
    S6578365718866010
    S75483585532485591399
    S85486454514558634
    S9530653956255415
    S105272753458154910
    Table 4. Two-photon absorption wavelengths λtp and cross sections σ of the ten lowest excited states of the zinc complexes AAZn, ABZn, and BBZn.
    Han Zhang, Zhe Shao, Ke Zhao. Responsive mechanism and coordination mode effect of a bipyridine-based two-photon fluorescent probe for zinc ion[J]. Chinese Physics B, 2020, 29(8):
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