Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation.
Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation.
复制标题
NK88异构化动力学的飞秒研究。
DOI：
10.1063/1.2210482
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发表时间：
2006
期刊：
影响因子：
--
通讯作者：
F. Santoro
中科院分区：
文献类型：
--
作者：
P. Nuernberger;G. Vogt;G. Gerber;R. Improta;F. Santoro
最近，在3，3(‘)-二乙基-2，2(’)-硫氰酸(NK88)体系上首次证明了液相光异构化反应的最优控制。此外，NK88分子所属的花菁类化合物在最近的不同理论出版物中引起了极大的关注。因此，更好地了解这一分子体系的分子动力学是特别有意义的。利用飞秒泵浦-超连续探测技术进行了实验，探测光的激发波长为400 nm，光谱范围为370-620 nm。为了正确地分析动力学，我们选择了时间窗来包含贡献过程的特征时间，此外，我们还使用了甲醇和乙二醇两种溶剂，并进行了各向异性测量。通过密度泛函理论和二阶Moller-Plesset微扰理论计算，将光谱数据归属于不同的分子态。对数据的分析表明，在最有可能的模型中，存在三种不同的异构体，寿命不同。在实验和理论数据的基础上，提出了异构化反应的概括性方案。
Recently, optimal control of a photoisomerization reaction in the liquid phase was demonstrated for the first time on the system 3,3(')-diethyl-2,2(')-thiacyanine (NK88). Additionally, the class of cyanines to which the molecule NK88 belongs draws a lot of attention in different recent theoretical publications. Therefore, a better understanding of the molecular dynamics of this molecular system is of special interest. Experiments using the femtosecond pump-supercontinuum probe technique with an excitation wavelength of 400 nm and a spectral range from 370 to 620 nm for the probe beam have been performed. In order to analyze the dynamics properly the time window has been chosen to comprise the characteristic times of the contributing processes, additionally we have employed two solvents, methanol and ethylene glycol, and have conducted anisotropy measurements. The spectroscopic data have been assigned to different molecular states with the help of density functional theory and second-order Moller-Plesset perturbation theory calculations. The analysis of the data has revealed in the most likely model that three different isomers exist with different lifetimes. On the basis of experimental and theoretical data, a conclusive scheme of the isomerization reaction is presented.
影响因子：
56.9
作者：
SCHOENLEIN, RW;PETEANU, LA;SHANK, CV
通讯作者：
SHANK, CV