We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
乙酰丙酮铱 Ir(acac)<sub>3</sub> 电子结构及光学性质研究.
- Authors
樊依佳; 蔚娇娇; 郭家成; 陈扬尹; 杜恭贺
- Abstract
Iridium acetylacetonate is a transition metal organic complex composed of transition metal Ir and acetylcaetonato. It is also an important green phosphorescent material and a component of many iridium luminescent materials. In this paper, firstly, the structures of the Ir(acac)3 and [Ir(acac)3]2 were fully optimized at density function theory (DFT), the Infrared and Raman spectra were discussed. Secondly, excited states property is studied by CIS. The results of calculate shows that the electronic absorption spectrum of Ir(acac)3 and [Ir(acac)3]2 are in UV spectral region, absorption peaks of Ir(acac)3 are 260nm,350nm,414nm, absorption peaks of [Ir(acac)3]2 are 299nm,353nm and 401nm . Compared with their gas condition, the absorption in the CH3CN is blue- shifted. The results show that the spectrum by Kunkely and Arnd Vogler include the complex of characteristic absorption spectrum of Ir(acac)3 and [Ir(acac)3]2 . It proves that Ir(acac)3 is exist at higher concentration. Finally, the proportion of monomeric Ir(acac)3 and oligomers [Ir(acac)3]2 could calculated, discusses the forming reason of oligomers [Ir(acac)3]2 .
- Publication
Journal of Atomic & Molecular Physics (1000-0364), 2025, Vol 42, Issue 1, p011001-1
- ISSN
1000-0364
- Publication type
Academic Journal
- DOI
10.19855/j.1000-0364.2025.011001