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C_(60)-TTF及其衍生物的二阶非线性光学性质的理论研究 被引量:5
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作者 张锁秦 封继康 +2 位作者 任爱民 付伟 李耀先 《化学学报》 SCIE CAS CSCD 北大核心 2000年第12期1582-1588,共7页
采用ZINDO系列方法优化了环状桥联的C_(60)-TIF分子及其6个衍生物的几何构型,研究了各分子的稳定构型并以稳定构型为基础,计算了这些分子的电子光谱,二阶非线性光学系数β_μ,β_0,及激发态电荷转移,考察了取代基变化对β_μ的影响,并... 采用ZINDO系列方法优化了环状桥联的C_(60)-TIF分子及其6个衍生物的几何构型,研究了各分子的稳定构型并以稳定构型为基础,计算了这些分子的电子光谱,二阶非线性光学系数β_μ,β_0,及激发态电荷转移,考察了取代基变化对β_μ的影响,并对上述结果在微观上给予了解释. 展开更多
关键词 c60-ttf 衍生物 二阶非线性光学系数 电荷转移
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C_(60)-TTF及Ru-oligothienylacetylide复合物的设计合成:新型非线性光诱导效应纳米材料(英文)
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作者 B. Sahraoui Z. Sofiani +5 位作者 A. Migalska-Zalas I. V. Kityk S.W. Tkaczyk J. Berdowski J.-L. Fillaut3 J. Perruchon 《光散射学报》 2005年第3期297-298,共2页
Nonlinear optics has been the subject of intensive research because of its wide applications in field of photonics, nanophotonics [1] and optoelectroncs such as optical signal processing, broad-band optical communicat... Nonlinear optics has been the subject of intensive research because of its wide applications in field of photonics, nanophotonics [1] and optoelectroncs such as optical signal processing, broad-band optical communications, integrated optics, optical sensing, optical poling, optical limiting, optical computing etc. A common problem in the laser technology is the protection of human eye and optical sensors from the damaging effects of high-energy light. Passive optical limiters can be the solution of this kind of problems.So optical materials with large coefficients of TPA and nonlinear refraction are of prime importance in optical limiting applications. Recently the C_ 60-TTF have attracted much attention because of their three-dimensional π-electron conjugated systems which makes them promising as new limiting materials [2]. Two-photon absorption, second harmonic generation (SHG), detection of phase transition using photoinduced nonlinear effects and illustration of new system for optical recording and erasing of holograms under weak laser illumination will be discussed. In other hand a series of new Donor-π-Acceptor ruthenium acetylide systems built around thiophene-based π-conjugating spacers has been developed and studied, in terms of the oligothienyl chain length. Comparison of the linear and third-order nonlinear optical properties of these Donor-π-Acceptor chromophores shows that the elongation of the spacer and introduction of a double bond in this spacer produces a considerable bathochromic shift of the absorption maximum together with a dramatic enhancement of the molecular cubic hyperpolarizability in these systems. Finally, acoustically induced second harmonic generation (AISHG) has been observed for thin films of these complexes incorporated in PMMA matrices, which reaches values among the highest, reported so far. 展开更多
关键词 c60-ttf Ru-oligothienylacetylide 复合物 非线性光诱导效应 纳米材料 纳米光子
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C_(60)-S-TTF及其衍生物的结构与电子性质的AM1研究 被引量:1
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作者 谢彦 曾和平 +2 位作者 吕梅香 王婷婷 霍延平 《计算机与应用化学》 CAS CSCD 北大核心 2005年第2期99-102,共4页
利用半经验AMI法研究了硫桥联的四硫富瓦烯衍生物的优势构型、电子结构及前线分子轨道。计算结果表明,目标分子的前线分子轨道主要由C_(60)决定,C_(60)母体与加成基团之间存在着较强的分子内电荷转移,C_(60)部分是电子受体,TTF部分为电... 利用半经验AMI法研究了硫桥联的四硫富瓦烯衍生物的优势构型、电子结构及前线分子轨道。计算结果表明,目标分子的前线分子轨道主要由C_(60)决定,C_(60)母体与加成基团之间存在着较强的分子内电荷转移,C_(60)部分是电子受体,TTF部分为电子给体。并且预测了四硫富瓦烯硫桥稠环合C_(60)衍生物可能在基态下产生长寿命的电荷分离态。 展开更多
关键词 c60-ttf衍生物 AM1 几何构型 电子结构 前线分子轨道
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