One- and Two-Photon Absorptions in Open-Shell Singlet Systems

被引：15

作者：

Nakano, Masayoshi ^{[1
]}

Yoneda, Kyohei ^{[1
]}

Kishi, Ryohei ^{[1
]}

Takahashi, Hideaki ^{[1
]}

Kubo, Takashi ^{[2
]}

Kamada, Kenji ^{[3
]}

Ohta, Koji ^{[3
]}

Champagne, Benoit ^{[4
]}

Botek, Edith ^{[4
]}

机构：

[1] Osaka Univ, Dept Mat Engn Sci, Grad Sch Engn Sci, Toyonaka, Osaka 5608531, Japan

[2] Osaka Univ, Grad Sch Sci, Dept Chem, Toyonaka, Osaka 5600043, Japan

[3] Photon Res Inst, Natl Inst Adv Ind Sci & Technol AIST, Ikeda, Osaka 5638577, Japan

[4] Fac Univ Notre Dame Paix FUNDP, Lab Chim Theor Appl, B-5000 Namur, Belgium

来源：

INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009) | 2012年 / 1504卷

基金：

日本学术振兴会;

关键词：

one and two photon absorption; hyperpolarizability; nonlinear optics; open-shell; radical; spin; 2ND HYPERPOLARIZABILITIES; DIRADICAL CHARACTER; BINUCLEAR COMPLEXES; CHROMOPHORES; MICROFABRICATION; HYDROCARBONS; FLUORESCENCE; DEPENDENCES; DIACETYLENE; DESIGN;

D O I：

10.1063/1.4771708

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

One- and two-photon absorption cross sections of symmetric open-shell singlet molecular systems are investigated using a valence configuration interaction scheme. It is found for one-photon absorption (OPA) that the peak intensity decreases and the peak position moves to the low energy region as increasing the diradical character of the system. In contrast, a significant enhancement of two-photon absorption (TPA) peak is predicted for open-shell singlet systems with intermediate diradical character as compared to the closed-shell and pure diradical systems. It is revealed that the largest TPA peak intensities occur for open-shell singlet diradicals having a ferromagnetically-coupled ground state and strongly depends on the ratio between damping factors of the excited states.

引用

页码：136 / 142

页数：7

共 32 条

[1] Relationship between two-photon absorption and the π-conjugation pathway in porphyrin arrays through dihedral angle control [J].

Ahn, TK ;

Kim, KS ;

Kim, DY ;

Noh, SB ;

Aratani, N ;

Ikeda, C ;

Osuka, A ;

Kim, D .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (05) :1700-1704

[2] Design of organic molecules with large two-photon absorption cross sections [J].

Albota, M ;

Beljonne, D ;

Brédas, JL ;

Ehrlich, JE ;

Fu, JY ;

Heikal, AA ;

Hess, SE ;

Kogej, T ;

Levin, MD ;

Marder, SR ;

McCord-Maughon, D ;

Perry, JW ;

Röckel, H ;

Rumi, M ;

Subramaniam, C ;

Webb, WW ;

Wu, XL ;

Xu, C .

SCIENCE, 1998, 281 (5383) :1653-1656

[3] Analysis of the magnetic coupling in binuclear complexes.: II.: Derivation of valence effective Hamiltonians from ab initio CI and DFT calculations [J].

Calzado, CJ ;

Cabrero, J ;

Malrieu, JP ;

Caballol, R .

JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (10) :3985-4000

[4] Analysis of the magnetic coupling in binuclear complexes. I. Physics of the coupling [J].

Calzado, CJ ;

Cabrero, J ;

Malrieu, JP ;

Caballol, R .

JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (07) :2728-2747

[5] Two-photon polymerization initiators for three-dimensional optical data storage and microfabrication [J].

Cumpston, BH ;

Ananthavel, SP ;

Barlow, S ;

Dyer, DL ;

Ehrlich, JE ;

Erskine, LL ;

Heikal, AA ;

Kuebler, SM ;

Lee, IYS ;

McCord-Maughon, D ;

Qin, JQ ;

Röckel, H ;

Rumi, M ;

Wu, XL ;

Marder, SR ;

Perry, JW .

NATURE, 1999, 398 (6722) :51-54

[6] 2-PHOTON LASER SCANNING FLUORESCENCE MICROSCOPY [J].

DENK, W ;

STRICKLER, JH ;

WEBB, WW .

SCIENCE, 1990, 248 (4951) :73-76

[7] Theoretical study on second hyperpolarizabilities of singlet diradical square planar nickel complexes involving o-semiquinonato type ligands [J].

Fukui, Hitoshi ;

Kishi, Ryohei ;

Minami, Takuya ;

Nagai, Hiroshi ;

Takahashi, Hideaki ;

Kubo, Takashi ;

Kamada, Kenji ;

Ohta, Koji ;

Champagne, Benoit ;

Botek, Edith ;

Nakano, Masayoshi .

JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (36) :8423-8429

[8] Synthesis and photophysical properties of new two-photon absorption chromophores containing a diacetylene moiety as the central π-bridge [J].

Iwase, Y ;

Kamada, K ;

Ohta, K ;

Kondo, K .

JOURNAL OF MATERIALS CHEMISTRY, 2003, 13 (07) :1575-1581

[9] Two-photon absorption properties of symmetric substituted diacetylene: drastic enhancement of the cross section near the one-photon absorption peak [J].

Kamada, K ;

Ohta, K ;

Yoichiro, I ;

Kondo, K .

CHEMICAL PHYSICS LETTERS, 2003, 372 (3-4) :386-393

[10] Strong two-photon absorption of singlet diradical hydrocarbons [J].

Kamada, Kenji ;

Ohta, Koji ;

Kubo, Takashi ;

Shimizu, Akihiro ;

Morita, Yasushi ;

Nakasuji, Kazuhiro ;

Kishi, Ryohei ;

Ohta, Suguru ;

Furukawa, Shin-ichi ;

Takahashi, Hideaki ;

Nakano, Masayoshi .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2007, 46 (19) :3544-3546

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