Density functional theory( DFT) and time-dependent density functional theory( TD-DFT) calculation were adopted to study the structures and properties of ferrocenyl ruthenium(Ⅱ) terpyridine complexes,and the theory calculation was conducted by using B3LYP method and 6-31G( d) basis set. Ferrocenyl ruthenium(Ⅱ) terpyridine complexes exhibit unique photophysical,photochemical,electrochemical,electron transfer,energy transfer properties,which has guiding significance for the synthesis of luminescent material.
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