Research of Physical Chemistry on Activity and Spin-Spin Interaction of Paramagnetic Molecular Species

近年来，包括激发态分子在内的顺磁分子物种的研究取得了很大进展，改进了实验技术，在这种情况下，开展了本合作研究。其主要目的是建立一套研究体系，从理论和实验两个角度对每个分子物种的电子结构进行特殊性质的研究。通过重新审视实验信息和理论考虑，可以通过聚焦反应性、动力学行为和自旋-自旋-相互作用来理解顺磁分子物种研究体系中的基本部分。因此，在不久的将来，我们的研究发展就变得非常有可能。目前由19名研究人员组成的合作研究小组开始负责以下四个部分课题：(1)PARAM…化学方法的改进聚焦时间分辨和频率分辨的方法中磁性分子种类较多。(2)激发态产生的顺磁粒子的自旋-自旋相互作用问题。(3)金属络合物的反应性和自旋-自旋相互作用；(4)捕获在凝聚相中的自由基的反应性。此后，我们小组全体成员通过交换信息和相互讨论，在密切合作下，获得了对目前问题的全面解决。因此，发表了许多卓有成效的调查和国际高水平的论文。主要部分内容如下：考虑扩散过程的CIDEP信号定量分析的发展；完成自旋化学的方法学发展；确定分子结构、动力学行为和同一分子物种之间的能量转移速率；检测光激发后金属络合物基态产生的自旋极化离子；直链烷烃O-阳离子自由基结构不对称的证据；正构烷烃氢原子抽取率与其C-C弯曲振动离子松弛速度之间的相关性的证据。采用脉冲EPR法检测。较少

Recently, the lnvestigations of paramagnetic molecolar species, lncluding excited molecules, make rapid progress by improving the experimental techniques.Under such circumstances, the present co-operative research was undertaken. The main purpose of this is the establishment of the research system which makes possible to investirate the special characters on the electronic structure of each molecular species, from both the theoretical and the experimental viewpoints. By reexaming the experimental informations and the theoretical considerations, the fundamental parts in the research system of paramagnetic molecular species could be understood by focussing the reactivity, the dynamic behavior, and the spin-spin-interaction. Thus, the development of our research becomes with great possibilities in the near future. The present co-operative research group with nineteen investigators began to take charge of the following four partial subjects; (1) the improvement of chemical method for param … More agnetic molecular species in focussing the time-resolved and the frequency-resolved methods. (2) the problems on the spin-spin interaction of paramagnetic species produced in the excited state. (3) the reactivity and the spin-spin interaction of metal complexes, and (4) the reactivity of free radicals trapped in condensed phases. After that, the complete resolutions of the present problems were obtained in close co-operation among all the member of our group by the exchange of information and the mutual discussions. As a result, many fruitful investigations and internationally high-level papers have been published. The main partial subjects of these are described as follows: Development of quantitative analysis of CIDEP signals, taking the diffusion process into consideration; Methodologycal development for the purpose of completing the spin chemistry; Determination of molecular structure, dynamic behavior, and energy-transfer rate between the same molecular species; Detection of spin polarizalion produced in the ground state of metal complexes after photoexcitation; Evidence for unsymmetrical structure of o-cation radicals of linear alkanes; Evidence for the correlation between the rate of hydrogen-atom-abstraction from n-alkanes and the relaxation rate of their C-C bending vibralion. detected by the pulse EPR method. Less