1407181-85-4Relevant academic research and scientific papers
A combined experimental and computational study of a ruthenium(II) polypyridyl complex: Synthesis, characterization, electronic structures and spectral properties
Xia, Yong,Sun, Aokui,Miao, Zhihui,Zhao, Tian,Cui, Meifang,Liu, Yuejun
, p. 441 - 445 (2018)
A novel ruthenium(II) complex of [Ru(bpy)2(ipipH)](PF6)2 (in which bpy = 2,2-bipyridine, ipipH = 2-(4-imidazol-1-yl)phenyl-imidazol[4,5-f][1,10]phenanthroline) was synthesized, and characterized using FT IR, 1H NMR, UV–Vis, and ESI mass spectroscopic measurements. The equilibrium geometries, spectral properties, and metal–ligand interaction of the [Ru(bpy)2(ipipH)]2+ complex were investigated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT). Natural bonding orbital (NBO) analysis indicates that the electrostatic interaction dominates the metal–ligand interaction.
A new imidazophenanthroline derivative and its Hg(II) complex: Structures, photophysical properties, and DFT calculations
Zheng, Zheng,Yu, Zhi-Peng,Zhou, Hong-Ping,Yang, Jia-Xiang,Feng, Yan,Kong, Lin,Wu, Jie-Ying,Tian, Yu-Peng
, p. 3972 - 3982 (2013/02/25)
A new ligand (L) and its mercury(II) complex have been synthesized under mild conditions. X-ray single-crystal structural analyses reveal 1-D, 2-D, and 3-D supermolecular structure of L and HgLI2. Solvent molecules and various weak interactions, including hydrogen bonds (N-H...N, O-H...O, and O-H...N) and π-π interactions play signiEcant roles in the Enal supermolecular structures. Detailed investigation on 1H NMR spectra of L and HgLI2 are presented. Their photophysical properties were investigated both experimentally and theoretically.
