中国物理B ›› 2018, Vol. 27 ›› Issue (10): 103301-103301.doi: 10.1088/1674-1056/27/10/103301

• SPECIAL TOPIC—Recent advances in thermoelectric materials and devices • 上一篇    下一篇

Isomerism and coordination mode effects on two-photon absorption of tris(picolyl)amine-based fluorescent probes for zinc ions

Ke Zhao(赵珂), Jun Song(宋军), Mei-Yu Zhu(朱美玉), Han Zhang(张瀚), Chuan-Kui Wang(王传奎)   

  1. School of Physics and Electronics, Shandong Normal University, Jinan 250358, China
  • 收稿日期:2018-03-08 修回日期:2018-07-25 出版日期:2018-10-05 发布日期:2018-10-05
  • 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) and the Taishan Scholar Project of Shandong Province, China.

Isomerism and coordination mode effects on two-photon absorption of tris(picolyl)amine-based fluorescent probes for zinc ions

Ke Zhao(赵珂), Jun Song(宋军), Mei-Yu Zhu(朱美玉), Han Zhang(张瀚), Chuan-Kui Wang(王传奎)   

  1. School of Physics and Electronics, Shandong Normal University, Jinan 250358, China
  • Received:2018-03-08 Revised:2018-07-25 Online:2018-10-05 Published:2018-10-05
  • 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) and the Taishan Scholar Project of Shandong Province, China.

摘要:

One-photon absorption and two-photon absorption (TPA) properties of three tris(picolyl)amine-based zinc ion sensors are investigated by employing the density functional response theory in combination with the polarizable continuum model. The different isomer and coordination geometry of each probe are taken into account. Special emphasis is placed on the effects of isomerism and the coordination mode on the optical properties. The intra-molecular charge transfer (ICT) properties are specified by natural bond orbital charge analysis. It is shown that the isomerism has non-negligible effects on TPA properties of free ligands. It is found that both the TPA wavelength and the cross section are highly dependent on the coordination mode. When the zinc ion connects with the picolyl unit in the middle of a ligand, the zinc complex has a large TPA intensity in a long wavelength range due to the increased ICT mechanism.

关键词: two-photon absorption, isomerism, coordination mode, zinc ion

Abstract:

One-photon absorption and two-photon absorption (TPA) properties of three tris(picolyl)amine-based zinc ion sensors are investigated by employing the density functional response theory in combination with the polarizable continuum model. The different isomer and coordination geometry of each probe are taken into account. Special emphasis is placed on the effects of isomerism and the coordination mode on the optical properties. The intra-molecular charge transfer (ICT) properties are specified by natural bond orbital charge analysis. It is shown that the isomerism has non-negligible effects on TPA properties of free ligands. It is found that both the TPA wavelength and the cross section are highly dependent on the coordination mode. When the zinc ion connects with the picolyl unit in the middle of a ligand, the zinc complex has a large TPA intensity in a long wavelength range due to the increased ICT mechanism.

Key words: two-photon absorption, isomerism, coordination mode, zinc ion

中图分类号:  (Molecular spectra)

  • 33.20.-t
42.65.-k (Nonlinear optics) 82.30.Fi (Ion-molecule, ion-ion, and charge-transfer reactions)