Strangfeld Benjamin R, Wells Thresa A, Chen Peter C
Chemistry Department, Spelman College , Atlanta, Georgia 30314, United States.
J Phys Chem A. 2014 Aug 28;118(34):6846-57. doi: 10.1021/jp500725j. Epub 2014 Jul 29.
High-resolution coherent multidimensional spectroscopy provides an alternative to conventional methods for generating rotationally resolved electronic spectra of gas phase molecules. In addition to revealing information such as the relationships among peaks, it can provide clearly recognizable patterns for spectra that otherwise appear patternless due to rotational congestion. Despite this improvement, high-resolution coherent 2D spectroscopy can still exhibit congestion problems; expansion to the second dimension is often not sufficient to prevent overlapping of peaks from different patterns. A new 3D version of the technique that provides improved resolution and selectivity to help address cases with severe congestion was recently demonstrated. The experimental design and interpretation of data for the 3D technique are significantly more complicated than that for the 2D version. The purpose of this paper is to provide important information needed to plan, run, and interpret results from high-resolution coherent 3D spectroscopy experiments.
高分辨率相干多维光谱为生成气相分子的转动分辨电子光谱提供了一种替代传统方法的手段。除了揭示诸如峰之间的关系等信息外，它还能为那些因转动拥挤而原本看似无规律的光谱提供清晰可辨的模式。尽管有了这种改进，高分辨率相干二维光谱仍可能出现拥挤问题；扩展到二维往往不足以防止不同模式的峰发生重叠。最近展示了一种新的三维技术版本，它提供了更高的分辨率和选择性，有助于解决严重拥挤的情况。三维技术的数据实验设计和解释比二维版本要复杂得多。本文的目的是提供规划、进行和解释高分辨率相干三维光谱实验结果所需的重要信息。
