中国物理B ›› 2011, Vol. 20 ›› Issue (10): 104204-104204.doi: 10.1088/1674-1056/20/10/104204

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One- and two-photon absorption properties of two metalloporphyrin complexes

王传奎1, 孙元红2   

  1. (1)College of Physics and Electronics, Shandong Normal University, Jinan 250014, China; (2)Fundamental Division of Shandong Police College, Jinan 250014, China
  • 收稿日期:2010-11-14 修回日期:2011-05-06 出版日期:2011-10-15 发布日期:2011-10-15
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 10974121), the Open Fund of the State Key Laboratory of High Field Laser Physics (Shanghai Institute of Optics and Fine Mechanics), Higher Educational Science and Technology Program of Shandong Province, China (Grant No. J09LA13).

One- and two-photon absorption properties of two metalloporphyrin complexes

Sun Yuan-Hong(孙元红)a)† and Wang Chuan-Kui(王传奎)b)   

  1. a Fundamental Division of Shandong Police College, Jinan 250014, China; b College of Physics and Electronics, Shandong Normal University, Jinan 250014, China
  • Received:2010-11-14 Revised:2011-05-06 Online:2011-10-15 Published:2011-10-15
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 10974121), the Open Fund of the State Key Laboratory of High Field Laser Physics (Shanghai Institute of Optics and Fine Mechanics), Higher Educational Science and Technology Program of Shandong Province, China (Grant No. J09LA13).

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摘要： The linear and nonlinear optical properties of two metalloporphyrin complexes formed by the complementary coordination of central zinc or magnesium ions to the ligand 5, 10, 15-tri-(p-tolyl)-20-phenylethynylporphyrin are theoretically investigated by using the analytic response theory at the density functional theory level. The results indicate that the studied complexes present more symmetric geometry structures than the ligand. The charge-transfer states of the two complexes in the lower energy region are all almost degenerate but those of the ligand are well separated. The ratio of the two-photon absorption cross sections of the ligand, zinc-porphyrin and magnesium-porphyrin complexes is 1.0:1.5:1.8, demonstrating that the two-photon absorption capability can be greatly increased when the ligand is coordinated with a metal ion. Moreover, several physical micro-mechanisms including electron transitions and intramolecular charge-transfer processes are discussed to explore the differences in optical property between the ligand and two complexes.

关键词: two-photon absorption, metalloporphyrin complexes, analytic response theory

Abstract: The linear and nonlinear optical properties of two metalloporphyrin complexes formed by the complementary coordination of central zinc or magnesium ions to the ligand 5, 10, 15-tri-(p-tolyl)-20-phenylethynylporphyrin are theoretically investigated by using the analytic response theory at the density functional theory level. The results indicate that the studied complexes present more symmetric geometry structures than the ligand. The charge-transfer states of the two complexes in the lower energy region are all almost degenerate but those of the ligand are well separated. The ratio of the two-photon absorption cross sections of the ligand, zinc-porphyrin and magnesium-porphyrin complexes is 1.0:1.5:1.8, demonstrating that the two-photon absorption capability can be greatly increased when the ligand is coordinated with a metal ion. Moreover, several physical micro-mechanisms including electron transitions and intramolecular charge-transfer processes are discussed to explore the differences in optical property between the ligand and two complexes.

Key words: two-photon absorption, metalloporphyrin complexes, analytic response theory

中图分类号:  (Strong-field excitation of optical transitions in quantum systems; multiphoton processes; dynamic Stark shift)

  • 42.50.Hz
31.15.ee (Time-dependent density functional theory) 82.45.Wx (Polymers and organic materials in electrochemistry)