exchange reactions with Os2(OAc)4Cl2 is reported. The structure of 1 has been determined by single-crystal X-ray studies, and shows a paddlewheel arrangement of the ligands about the triply bonded diosmium core. Both compounds have magnetic moments at room temperature that are consistent with the presence of two unpaired electrons, and their cyclic voltammograms show a single redox process corresponding
通过与Os 2(OAc)进行
羧酸盐交换反应来制备Os 2(TiPB)4 Cl 2(1 ; TiPB =
2,4,6-三异丙基苯甲酸酯)和Os 2(TiPB)2(OAc)2 Cl 2(2)报告了4 Cl 2。1的结构已经通过单晶X射线研究确定了X射线衍射,并且显示了在三键结合的core核周围的
配体的桨轮布置。两种化合物在室温下的磁矩都与两个未配对电子的存在一致,并且它们的循环伏安图显示对应于Os 2 5 + / 6 +氧化还原对的单个氧化还原过程。1和2的电子吸收光谱显示约395 nm处的吸收,对应于π(Cl)→π*(Os 2)L
MCT跃迁,以及在较低能量下的许多较弱的吸收。Os 2(OAc)4 Cl 2的密度泛函理论(DFT)计算在不同理论
水平(B3LYP和PBE0)已用于探测四
羧酸二di的电子结构。计算结果表明,这些化合物具有σ 2 π 4 δ 2 δ* 1种π* 1种电子配置,和时间依