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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Spectroscopic and theoretical investigations on effective and selective interaction of fullerenes C_(60) and C_(70) with a derivatized Znphthalocyanine: Stabilization of charge-recombined state by side-on approach of C_(70)
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Spectroscopic and theoretical investigations on effective and selective interaction of fullerenes C_(60) and C_(70) with a derivatized Znphthalocyanine: Stabilization of charge-recombined state by side-on approach of C_(70)

机译：富勒烯C_（60）和C_（70）与衍生化的酞菁的有效和选择性相互作用的光谱和理论研究：通过C_（70）的侧向方法稳定电荷复合态

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摘要

The photophysical aspects of noncovalently linked fullerenes C_(60) and C_(70) with a designed metallophthalocyanine, namely, zinc-2,3,9,10,16,17,23,24-octakis-(octyloxy)-29H,31H-phthalocyanine (1) have been investigated employing various spectroscopic tools such as UVvis absorption spectrophotometry, steady state and time-resolved fluorescence, along with solution state IR measurements in toluene medium. The ground state interaction between fullerenes and 1 is first evidenced from UVvis measurements. Binding constants (K) for the complexes of C_(60) and C_(70) with 1 are determined to be 13 235 and 27 670 dm~3·mol~1, respectively. Steady state fluorescence experiment reveals efficient quenching of the excited singlet state of 1 in presence of both C_(60) and C _(70). Emission studies reveal K values of 8945 and 19 175 dm ~3·mol~1 for C_(60)/1 and C_(70)/1 complexes, respectively. The magnitude of K suggests that 1 preferentially binds C_(70) in comparison to C_(60) as average selectivity in K of C_(70) over C_(60) is enumerated to be 2.0. Time resolved emission measurements establish that C_(70)/1 complex is stabilized much more in comparison to C_(60)/1 complex in terms of charge recombination. Liquid IR studies provide very good support in favor of ground state complexation between fullerenes and 1. Molecular mechanics calculations at force field model and semiempirical calculations employing third parametric method substantiate the strong binding between C_(70) and 1, and at the same time, determine the orientation of bound guest (here C_(70)) within the cavity of 1.
机译：非共价连接的富勒烯C_（60）和C_（70）与设计的金属酞菁锌的光物理特性，即2,3,9,10,16,17,23,24-辛基-（辛氧基）-29H，31H已使用多种光谱学工具（例如紫外可见吸收分光光度法，稳态和时间分辨荧光）以及在甲苯介质中的溶液状态IR测量研究了酞菁（1）。富勒烯与1之间的基态相互作用首先由UVvis测量证明。确定C_（60）和C_（70）与1的配合物的结合常数（K）分别为13 235和27 670 dm〜3·mol〜1。稳态荧光实验表明，在同时存在C_（60）和C_（70）的情况下1的激发单重态的有效猝灭。发射研究表明，C_（60）/ 1和C_（70）/ 1配合物的K值分别为8945和19175 dm〜3·mol〜1。 K的大小表明，与C_（60）相比，1优先绑定C_（70），因为C_（70）相对于C_（60）的K的平均选择性为2.0。时间分辨发射测量结果表明，与C_（60）/ 1配合物相比，C_（70）/ 1配合物在电荷重组方面更稳定。液体IR研究为富勒烯与1之间的基态络合提供了很好的支持。力场模型的分子力学计算和采用第三参数方法的半经验计算证实了C_（70）和1之间的强结合，同时，确定绑定的来宾（此处为C_（70））在1腔内的方向。

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