Force-spectrum relations for molecular optical force probes.
Force-spectrum relations for molecular optical force probes.
复制标题
分子光学力探针的力谱关系。
DOI：
10.1002/anie.201309794
复制
发表时间：
2014
影响因子：
--
通讯作者：
A. Dreuw
中科院分区：
文献类型：
--
作者：
T. Stauch;A. Dreuw
力探针允许实时监测作用在大分子的不同区域中的力，并且潜在地适合于研究在大分子中发生的结构变化，折叠过程这些信息对于理解机械化学反应性至关重要。为此，可以将小分子力探针掺入大分子中。一些可用的系统是基于机械变色，即分子在机械应力下的UV/维斯吸收光谱的变化。在这里，我们提出了使用分子力探针的想法，其中点群对称性因机械变形而降低。这种效应导致显着的和特征的变化，在UV/维斯，IR，和拉曼光谱的变形分子，这是使用计算方法确定。有利的是，这些变化是可逆的，并且即使施加的力很小也会发生。
Force probes allow real-time monitoring of forces acting in different regions of large molecules and are potentially suited for the investigation of structural changes occurring in macromolecules during, e.g., folding processes. Such information is crucial for the understanding of mechanochemical reactivity. To this end, small molecular force probes can be incorporated into large molecules. Some of the available systems are based on mechanochromism, the change of the UV/Vis absorption spectrum of a molecule under mechanical stress. Herein we propose the idea of using molecular force probes in which the point-group symmetry is reduced as a result of mechanical deformation. This effect leads to significant and characteristic changes in the UV/Vis, IR, and Raman spectra of the deformed molecules, which were determined using computational methods. Beneficially, these changes are reversible and occur even if the applied forces are small.
影响因子：
16.6
作者：
Ribas-Arino, Jordi;Shiga, Motoyuki;Marx, Dominik
通讯作者：
Marx, Dominik