光诱导亚硝酰钌配合物的异构反应是钌配合物的一类重要的光反应，可发生光异构的材料在光电子和光子器件技术(包括光开关、数据存储等方面)具有潜在的应用价值。本课题计划利用时间分辨的一维红外光谱研究亚硝酰钌配合物[Ru(OAc)(2mqn)2NO]光异构反应的量子分子机制和动力学机理，通过测定解析cis-1型和trans型[Ru(OAc)(2mqn)2NO]中以NO和CO伸缩振动为中心的时间分辨的一维红外光谱，以NO和CO的振动为构型和反应动力学的标记探针，进行时间分辨的红外光谱动力学过程的研究；利用量子化学计算，采用GAUSSIAN 09程序包，计算[Ru(OAC)(2mqn)2NO]异构体在光辐照下的反应路径，寻找过渡态，以助于了解光异构的反应机理。本课题旨在阐明不同构型[Ru(OAC)(2mqn)2NO]异构体分子的反应动力学过程和机理，为调控光异构反应提供理论和实验依据

In this study, we will examine the reaction mechanism on photoisomerization of [Ru(OAc)(2mqn)2NO] complexes by time-resolved infrared spectroscopy. The photo-induced isomerization of [Ru(OAc)(2mqn)2NO] were monitored by time-resolved infrared spectroscopy technique Using the nitrosyl stretching (νNO) and the carbonyl stretching(νCO) as vibrational probe. Based on quantum chemistry calculation, the reaction path on photoisomerization of [Ru(OAc)(2mqn)2NO] complexes and a transition state was calculated by using GAUSSIAN 09 program package. The purpose of this study is to elucidate the reaction kinetics process and mechanism of [Ru (OAC) (2mqn) 2NO] isomers in different configurations, and to provide experimental and theoretical basis for the regulation of the isomerization reaction.