Responsive mechanism and coordination mode effect of a bipyridine-based two-photon fluorescent probe for zinc ion

doi:10.1088/1674-1056/aba9b9

中国物理B ›› 2020, Vol. 29 ›› Issue (8): 83304-083304.doi: 10.1088/1674-1056/aba9b9

• SPECIAL TOPIC—Ultracold atom and its application in precision measurement • 上一篇下一篇

Responsive mechanism and coordination mode effect of a bipyridine-based two-photon fluorescent probe for zinc ion

Han Zhang(张瀚), Zhe Shao(邵哲), Ke Zhao(赵珂)

School of Physics and Electronics, Shandong Normal University, Jinan 250358, China

收稿日期:2020-05-07 修回日期:2020-06-02 出版日期:2020-08-05 发布日期:2020-08-05
通讯作者: Ke Zhao E-mail:zhaoke@sdnu.edu.cn
基金资助:
Project supported by the Natural Science Foundation of Shandong Province, China (Grant No. ZR2014AM026).

Responsive mechanism and coordination mode effect of a bipyridine-based two-photon fluorescent probe for zinc ion

Han Zhang(张瀚), Zhe Shao(邵哲), Ke Zhao(赵珂)

School of Physics and Electronics, Shandong Normal University, Jinan 250358, China

Received:2020-05-07 Revised:2020-06-02 Online:2020-08-05 Published:2020-08-05
Contact: Ke Zhao E-mail:zhaoke@sdnu.edu.cn
Supported by:
Project supported by the Natural Science Foundation of Shandong Province, China (Grant No. ZR2014AM026).

摘要/Abstract

摘要： The properties of one-photon absorption (OPA), emission and two-photon absorption (TPA) of a bipyridine-based zinc ion probe are investigated employing the density functional theory in combination with response functions. The responsive mechanism and coordination mode effect are explored. The structural fluctuation is illustrated by molecular dynamics simulation. The calculated OPA and emission wavelengths of the probe are consistent with the experimental data. It is found that the red-shift of OPA wavelength and the enhancement of TPA intensity are induced by the increased intra-molecular charge transfer mechanism upon metal binding. The structural fluctuation could result in the blue-shift of TPA wavelength and the decrease of the TPA cross section. The TPA properties are quite different among the zinc complexes with different coordination modes. The TPA wavelength of the complexes with two ligands is close to that of the probe, which is in agreement with the experimental observation.

关键词: two-photon absorption, fluorescent probe, zinc ion, coordination mode, bipyridine

Abstract: The properties of one-photon absorption (OPA), emission and two-photon absorption (TPA) of a bipyridine-based zinc ion probe are investigated employing the density functional theory in combination with response functions. The responsive mechanism and coordination mode effect are explored. The structural fluctuation is illustrated by molecular dynamics simulation. The calculated OPA and emission wavelengths of the probe are consistent with the experimental data. It is found that the red-shift of OPA wavelength and the enhancement of TPA intensity are induced by the increased intra-molecular charge transfer mechanism upon metal binding. The structural fluctuation could result in the blue-shift of TPA wavelength and the decrease of the TPA cross section. The TPA properties are quite different among the zinc complexes with different coordination modes. The TPA wavelength of the complexes with two ligands is close to that of the probe, which is in agreement with the experimental observation.

Key words: two-photon absorption, fluorescent probe, zinc ion, coordination mode, bipyridine

中图分类号: (Molecular spectra)

33.20.-t

42.65.-k (Nonlinear optics) 47.11.Mn (Molecular dynamics methods) 82.30.Fi (Ion-molecule, ion-ion, and charge-transfer reactions)

张瀚, 邵哲, 赵珂. Responsive mechanism and coordination mode effect of a bipyridine-based two-photon fluorescent probe for zinc ion[J]. 中国物理B, 2020, 29(8): 83304-083304.

Han Zhang(张瀚), Zhe Shao(邵哲), Ke Zhao(赵珂). Responsive mechanism and coordination mode effect of a bipyridine-based two-photon fluorescent probe for zinc ion[J]. Chin. Phys. B, 2020, 29(8): 83304-083304.

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Responsive mechanism and coordination mode effect of a bipyridine-based two-photon fluorescent probe for zinc ion

Responsive mechanism and coordination mode effect of a bipyridine-based two-photon fluorescent probe for zinc ion

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