Multiphoton absorption in expanded porphyrins

被引：6
|
作者：
He Yuan-Hang [2 ]
Hui Ren-Jie [2 ]
YI Yuan-Ping [1 ]
Shuai Zhi-Gang [1 ]
机构：
[1] Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China
[2] Beijing Inst Technol, Sch Aerosp Sci & Engn, Beijing 100081, Peoples R China
来源：
ACTA PHYSICO-CHIMICA SINICA | 2008年 / 24卷 / 04期
基金：
中国国家自然科学基金;
关键词：
multiphoton absorption; sum-over-states-involved tensor approach; porphyrin derivatives; multireference determinant configuration interaction method;
D O I：
10.1016/S1872-1508(08)60023-6
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We have calculated the multiphoton absorption cross-sections for three expanded porphyrin derivatives using the sum-over-states-involved tensor approach in combination with the strongly correlated multireference determinant single- and double-configuration interaction method. The calculated results showed that the two- and three-photon energies corresponding to the first peak of the multiphoton absorption spectra showed a decrease (red-shifted) with the number of inserted thiophene groups, whereas the cross sections showed a remarkable increase, particularly for three-photon absorption cross-section. However, the larger twist of the molecular plane for the expanded molecule resulted in an obvious drop in the increasing trend for three-photon absorption cross-section.
引用
收藏
页码：565 / 570
页数：6
相关论文
共 33 条
  • [1] Relationship between two-photon absorption and the π-conjugation pathway in porphyrin arrays through dihedral angle control
    Ahn, TK
    Kim, KS
    Kim, DY
    Noh, SB
    Aratani, N
    Ikeda, C
    Osuka, A
    Kim, D
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (05) : 1700 - 1704
  • [2] Comparative photophysics of [26]- and [28]hexaphyrins(1.1.1.1.1.1): Large two-photon absorption cross section of aromatic [26]hexaphyrins(1.1.1.1.1.1)
    Ahn, TK
    Kwon, JH
    Kim, DY
    Cho, DW
    Jeong, DH
    Kim, SK
    Suzuki, M
    Shimizu, S
    Osuka, A
    Kim, D
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (37) : 12856 - 12861
  • [3] A PI-CL APPROACH TO THE STUDY OF CORRELATION-EFFECTS ON THE NONLINEAR-OPTICAL PROPERTIES IN ORGANIC PI-CONJUGATED SYSTEMS
    ALBERT, IDL
    MORLEY, JO
    PUGH, D
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (01): : 237 - 250
  • [4] ANGELI C, 2001, DALTON AB INITIO ELE
  • [5] [Anonymous], PHYS CHEM
  • [6] Beljonne D, 2002, ADV FUNCT MATER, V12, P631, DOI 10.1002/1616-3028(20020916)12:9<631::AID-ADFM631>3.0.CO
  • [7] 2-W
  • [8] INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION
    BUENKER, RJ
    PEYERIMH.SD
    [J]. THEORETICA CHIMICA ACTA, 1974, 35 (01): : 33 - 58
  • [9] Extended squaraine dyes with large two-photon absorption cross-sections
    Chung, Sung-Jae
    Zheng, Shijun
    Odani, Toru
    Beverina, Luca
    Fu, Jie
    Padilha, Lazaro A.
    Biesso, Arianna
    Hales, Joel M.
    Zhan, Xiaowei
    Schmidt, Karin
    Ye, Aijun
    Zojer, Egbert
    Barlow, Stephen
    Hagan, David J.
    Van Stryland, Eric W.
    Yi, Yuanping
    Shuai, Zhigang
    Pagani, Giorgio A.
    Bredas, Jean-Luc
    Perry, Joseph W.
    Marder, Seth R.
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (45) : 14444 - 14445
  • [10] Two-photon absorption properties of iron(II) and ruthenium(II) trischelate complexes of 2,2′:4,4":4′,4′"-quaterpyridinium ligands
    Coe, Benjamin J.
    Samoc, Marek
    Samoc, Anna
    Zhu, Lingyun
    Yi, Yuanping
    Shuai, Zhigang
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (03): : 472 - 478
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