摘要
以三(2-吡啶甲基)胺(tpa)为螯合配体合成了2种新型的钌配合物[Ru(tpa)(H_2biim)]·(ClO_4)_2(1)和[Ru(tpa)(H_2bbim)]·(ClO_4)_2(2)(H_2biim=2,2′-联咪唑;H2bbim=2,2′-苯并联咪唑),并研究了它们的晶体结构和紫外光谱.通过理论计算对紫外光谱峰值进行了指认,光谱模拟和实验吻合.计算发现2种配合物分子的最低空轨道落在H_2biim或H_2bbim配体上,和其他Ru-H_2biim(H_2bbim)配合物有所不同.
Two novel ruthenium（Ⅱ）complexes [Ru（tpa）（H2biim）]·（ClO4）2（1）and [Ru（tpa）（H2bbim）]·（ClO4）2（2）were synthesized using tris（2-pyridylmethyl）amine（tpa）as a chelating ligand.Their crystal structures and UV-vis spectra were studied.The peaks of UV-vis spectra were signed through theoretical calculation and the model spectra of the complexes were in good agreement with the experimental results.Theoretical calculation suggests that the LUMO orbits of two copmlexes on H2biim（H2bbim）ligands,and differences from other Ru-H2biim（H2bbim）complexes were found.
出处
《分子科学学报》
CAS
CSCD
北大核心
2015年第6期468-474,共7页
Journal of Molecular Science
基金
国家自然科学基金资助项目(20903027)
广东省自然科学基金资助项目(S2011040000529
S2012010010157)
关键词
钌配合物
晶体结构
紫外光谱
理论计算
ruthenium（Ⅱ）complexe
crystal structure
UV-vis spectra
theoretical calculation
