Signature of vibrational motions encoded into small polyatomic spectra

使用革命性的最先进的光谱仪，该项目计划搜索将一种化学物质转化为另一种化学物质的大规模振动运动的特征。断键化学反应必然涉及高振动激发的反应物和/或产物，这些反应物和/或产物使体系的能量远离平衡。现在可以直接测量分子在穿越化学势垒时所经历的变化。该项目计划研究乙烯-乙炔异构化这一长期存在的问题，以验证长期以来怀疑的小分子中是否存在大幅振动运动，这被认为是一类特定化学动力学的特征。这将为今后单分子化学反应的控制提供合理的依据。

Using revolutionary state-of-the-art spectrometers, the project plans to search for signatures of large-amplitude vibrational motions that transform one chemical species to another. Bond-breaking chemical reactions necessarily involve highly vibrationally excited reactants and/or products that move the energy of the system away from equilibrium. It is now possible for direct measurements to be made of the changes that a molecule undergoes as it transits across a chemical potential energy barrier. The project plans to examine the long-standing problem of vinylidene-acetylene isomerisation in order to verify the long-suspected existence of large amplitude vibrational motion in small molecules, which are thought to be the signatures of a particular class of chemical dynamics. These would provide a rational basis for future control of unimolecular chemical reactions.