摘要
本文对三种RCCo_3(CO)_9及相应的自由基进行了电化学和ESR谱研究.电化学研究表明,RCCo_3(CO)_9被还原为自由基的难易与R的性质有关,RCCo_3(CO)_9在室温下可以稳定存在.在对分子轨道对称性分析的基础上对簇合物自由基的ESR谱进行了讨论.确定了超精细偶合常数的符号和未成对电子占据轨道的性质,计算了Co的3d轨道和4s轨道的自旋密度.
Three kinds of RCCo3 (CO) 9 and their radicals have been studied with electrochemistry and ESR spectra. The reduction of RCCo3 (CO) 9 are related to the nature of R and RCCo3 (CO)9^- are stable at room temperature. Based on the symmetry analysis of MO, the ESR spectra of cluster radicals are discussed in detail. The sign of hyperfine coupling constant and the nature of the orbital occupied by unpaired electron are determined. Furthermore, the spin density on 3d orbital and 4s orbital of cobalt are calculated from experimental results.
出处
《波谱学杂志》
CAS
CSCD
1989年第2期137-142,共6页
Chinese Journal of Magnetic Resonance
基金
国家自然科学基金委员会资助项目
关键词
钴
羰基簇合物
电化学
ESR谱
Cobalt
Trinuclcar carbonyl cluster
Cyclic voltammetry
ESR.
