Surrogate for Debye-Waller Factors from Dynamic Stokes Shifts
Surrogate for Debye-Waller Factors from Dynamic Stokes Shifts
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DOI：
10.1021/jz200490h
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发表时间：
2011-06-16
影响因子：
5.7
通讯作者：
Tyagi, Madhusudan
中科院分区：
文献类型：
--
作者：
Cicerone, Marcus T.;Zhong, Qin;Tyagi, Madhusudan
我们发现，时间分辨荧光斯托克斯位移（TRSS）的短时行为与甘油静态结构因子峰值附近q处中子散射获得的中间散射函数相似。这使我们能够以相对简单的方式从TRSS数据中提取短至1ps的德拜-沃勒（DW）因子模拟。利用该方法获得的时域弛豫数据，我们表明，在>= 40ps时评估的DW因子可以直接受到a.弛豫的影响，因此在评估玻璃形成系统中快慢动力学之间的关系时应谨慎使用。
We show that the short-time behavior of time-resolved fluorescence Stokes shifts (TRSS) are similar to that of the intermediate scattering function obtained from neutron scattering at q near the peak in the static structure factor for glycerol. This allows us to extract a Debye-Waller (DW) factor analogue from TRSS data at times as short as 1 ps in a relatively simple way. Using the time domain relaxation data obtained by this method, we show that DW factors evaluated at times >= 40 ps can be directly influenced by a. relaxation and thus should be used with caution when evaluating relationships between fast and slow dynamics in glass-forming systems.