Chinese Physics B, Volume. 29, Issue 8, (2020)
Responsive mechanism and coordination mode effect of a bipyridine-based two-photon fluorescent probe for zinc ion
Figures & Tables(13)
Fig. 1. Chemical structures 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.
Fig. 3. Energy curves from the A to B (a) and from the AZn to BZn (b).
Fig. 5. TPA spectra of molecules (A and B) and their corresponding zinc complexes.
Fig. 6. Divided parts of the molecules (A and B) and their corresponding zinc complexes.
Fig. 7. TPA spectra of molecule A and the structures with decreasing dihedral angle.
Fig. 8. Chemical structures and the corresponding optimized geometries of the zinc complexes AAZn, ABZn, and BBZn.
Table 1. One-photon absorption and emission properties of the molecules.
View tableView in ArticleTable 1. One-photon absorption and emission properties of the molecules.
Mol. λop/nm fop Transition nature λem/nm fem Transition nature A 368(360) a) 2.83 S0–S1 H–L(85%) 462(465) a) 2.99 S1–S0 H–L(89%) AZn 381 2.58 S0–S1 H–L(84%) 486 2.78 S1–S0 H–L(89%) B 355 2.86 S0–S1 H–L(85%) 459 3.00 S1–S0 H–L(85%) BZn 389(400) a) 2.53 S0–S1 H–L(87%) 491(550) a) 2.74 S1–S0 H–L(85%)
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.
View tableView in ArticleTable 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.
State A AZn B BZn λtp/nm σ/GM λtp/nm σ/GM λtp/nm σ/GM λtp/nm σ/GM S1 754 1 788 35 725 2 806 9 S2 629 949 656 2927 625 600 670 3772 S3 551 0 563 420 546 0 583 996 S4 530 2077 551 17 526 955 545 2236 S5 516 26 531 519 515 96 540 30 S6 515 449 528 6902 514 163 538 20
Table 3. Net charges (in units of e) for divided parts of the molecules in the ground states and the first excited states.
View tableView in ArticleTable 3. Net charges (in units of e) for divided parts of the molecules in the ground states and the first excited states.
QX0 QX1 ΔQX QY0 QY1 ΔQY QZ0 QZ1 ΔQZ A 0.045 0.105 0.060 −0.090 −0.210 −0.120 0.045 0.105 0.060 AZn 0.108 0.167 0.059 −0.216 −0.394 −0.178 0.108 0.227 0.119 B 0.046 0.109 0.063 −0.093 −0.216 −0.123 0.047 0.107 0.060 BZn 0.090 0.220 0.130 −0.178 −0.460 −0.282 0.088 0.238 0.150
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.
View tableView in ArticleTable 4. Two-photon absorption wavelengths λtp and cross sections σ of the ten lowest excited states of the zinc complexes AAZn, ABZn, and BBZn.
State AAZn ABZn BBZn λtp/nm σ/GM λtp/nm σ/GM λtp/nm σ/GM S1 745 3 788 6 775 7 S2 736 21 721 18 775 3 S3 647 920 656 2854 650 1302 S4 636 1852 628 1048 644 3447 S5 589 44 620 31 601 35 S6 578 36 571 886 601 0 S7 548 358 553 248 559 1399 S8 548 64 545 14 558 634 S9 530 6 539 562 554 15 S10 527 27 534 581 549 10
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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):
Paper Information
Received: May. 7, 2020
Accepted: --
Published Online: Apr. 29, 2021
The Author Email: Zhao Ke (zhaoke@sdnu.edu.cn)
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