Hemilabile trans/cis-isomerism in [(P∩OO)2RuCl2(N∩N)], XRD/HSA-interactions, C–H⸱⸱⸱Cl-Ru(II) supramolecular synthon, solvatochromism, thermal and A DFT/TD-DFT computation
作者:Ismail Warad
DOI:10.1016/j.molliq.2021.115482
日期:2021.4
2-cyclohexyldiamine (3). The complexes were characterized by 31P-, 1H-, 13C NMR, FAB-MS, cyclic voltammetry (CV), UV–Vis, FT-IR, TG/DTA, and XRD. The regular octahedral trans-Cl2Ru(P∩OO)2(N∩N) structure of trans-3 has been solved by XRD. The C–H⸱⸱⸱Cl2Ru(II) metallo-supramolecular synthons and CMe-H⸱⸱⸱H-CPh Van-der-Waals (VdW) interactions linking dimers were detected. Hirshfeld surface analysis (HSA) corroborated
三种新型中性的Ru(II)复合物,使用(2,2-二甲氧基乙基)二苯基膦以良好的收率合成,P ∩ OO =苯基2 PCH 2 CH(OCH 3)2 hemilabile二醚膦通式氯2的Ru(P ∩ OO)2(1)和Cl 2的Ru(P ∩ OO)2(N ∩ N)(N ∩ N =乙二胺(2)或1,2-环己基二胺(3)。通过将复合物,其特征在于31 P-,1 H-,13C NMR,FAB-MS,循环伏安法(CV),UV-Vis,FT-IR,TG / DTA和XRD。该规则的八面体反式-Cl 2的Ru(P ∩ OO)2(N ∩ N)反式的结构3已经通过XRD解决。检测到C–H⸱⸱⸱Cl 2 Ru(II)金属超分子合成子和C Me –H⸱⸱⸱HC Ph Van-der-Waals(VdW)相互作用连接二聚体。Hirshfeld表面分析(HSA)在存在多个分子短触点的情况下证实了XRD堆积结果。在P中的hemilability现象∩