Xenogiannopoulou Evangelia, Medved Miroslav, Iliopoulos Kostas, Couris Stelios, Papadopoulos Manthos G, Bonifazi Davide, Sooambar Chloè, Mateo-Alonso Aurelio, Prato Maurizio
Institute of Chemical Engineering and High Temperature, Chemical Processes (ICEHT), Foundation for Research and Technology-Hellas (FORTH), P.O. Box 1414, 26504 Patras, Greece.
Chemphyschem. 2007 May 14;8(7):1056-64. doi: 10.1002/cphc.200600760.
A series of novel [60]fullerene-ferrocene and [60]fullerene-porphyrin dyads, in which a fullerene and an electron donating moiety are attached through a flexible triethylene glycol linker are synthesized and their nonlinear optical (NLO) response studied. Specifically, the third-order susceptibility chi(3) of all fullerene derivatives are measured in toluene solutions by the optical Kerr effect (OKE) technique using 532 nm, 35 ps laser pulses and their second hyperpolarizability gamma are determined. All fullerene dyads studied exhibit enhancement of their NLO response compared to pristine fullerenes which has been attributed to the formation of a charge separated state. All experimentally measured hyperpolarizability gamma values are also calculated by the semiempirical methods AM1 and PM3. A good correlation is found between the theoretical and experimental values, suggesting that simple semiempirical methods can be employed for the designing and optimization of the fullerene-containing dyads displaying improved nonlinear responses.
合成了一系列新型的[60]富勒烯 - 二茂铁和[60]富勒烯 - 卟啉二元化合物，其中富勒烯和给电子部分通过柔性三甘醇连接基相连，并研究了它们的非线性光学（NLO）响应。具体而言，使用532 nm、35 ps激光脉冲，通过光学克尔效应（OKE）技术在甲苯溶液中测量了所有富勒烯衍生物的三阶极化率χ(3)，并确定了它们的二阶超极化率γ。与原始富勒烯相比，所有研究的富勒烯二元化合物均表现出NLO响应增强，这归因于电荷分离态的形成。所有实验测量的超极化率γ值也通过半经验方法AM1和PM3进行了计算。理论值与实验值之间发现了良好的相关性，表明简单的半经验方法可用于设计和优化显示出改善的非线性响应的含富勒烯二元化合物。
