共 72 条
Signatures of Through-Space Charge Transfer in Two-Photon Absorption of Paracyclophane Derivatives
被引：2
作者：
Salimi, Abbas
[1
,2
]
Cho, Daeheum
[1
]
Lee, Jin Yong
[1
]
Kang, Sunwoo
[3
]
Mukamel, Shaul
[4
]
机构：
[1] Sungkyunkwan Univ, Dept Chem, Suwon 16419, South Korea
[2] Sungkyunkwan Univ, Sch Chem Engn, Suwon 16419, South Korea
[3] Samsung Display Co, Display Res Ctr, 1 Samsung Ro, Yongin, Gyeonggi, South Korea
[4] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA
关键词：
Two-photon absorption;
Paracyclophanes;
Collective electronic oscillator;
Through-space charge transfer;
SUBSTITUTED CONJUGATED MOLECULES;
DENSITY-FUNCTIONAL THEORY;
COLLECTIVE ELECTRONIC OSCILLATORS;
FLUORIDE-SELECTIVE FLUORESCENT;
DIFFERENTIAL-OVERLAP TECHNIQUE;
TRANSITION-METAL-COMPLEXES;
NONLINEAR-OPTICAL-RESPONSE;
INTERMEDIATE NEGLECT;
ORBITAL THEORY;
CROSS-SECTION;
D O I：
10.1002/bkcs.11874
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Third order polarizability, (gamma) taken from the collective electronic oscillator (CEO) method was used to calculate the two-photon absorption (TPA) of tetrastyryl-[2,2]paracyclophane derivatives with different through-space charge transfer configurations considering various donor and acceptor combinations at the terminal styryl groups. For the virtually same linear absorption, different TPA spectra were obtained. For controlling and fine-tuning frequency and cross-sections of TPA the through-space charge transfer interactions can be used. The results are explained by the electronic density matrices corresponding to governing oscillators in one- and two-photon absorption and the ground state. It is indicated that for the studied systems mainly the lowest four oscillators are responsible for the TPA cross-sections rather than a simple effective three-state model.
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页码：1076 / 1086
页数：11
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