乙酰丙酮锌激发态动态结构的共振拉曼光谱研究

Resonance Raman Spectroscopic Investigation of Excited State Dynamic Structure of Znic Bisacetylacetone

研究乙酰丙酮锌激发态动力学及反应机理对理解和控制沉积膜的成分及形态具有重要意义。运用共振拉曼技术结合密度泛函理论研究乙酰丙酮锌的激发态动力学,对乙酰丙酮锌的振动光谱进行了指认,对乙酰丙酮锌在甲醇中285 nm处的电子吸收带进行归属。获得了282.4 nm处乙酰丙酮锌在甲醇溶液中的共振拉曼光谱。结果表明,乙酰丙酮锌的激发态动态结构包含6个全对称振动模,起决定作用的是υ11、υ10、υ7和υ6振动模。注意到了乙酰丙酮锌和乙酰丙酮铜共振拉曼光谱中υ4、υ10、υ11振动模的相对强度变化,以及非全对称模在其激发态动力学过程中的作用。

Study of the excited state dynamics and reaction mechanism of zinc bisacetylacetone plays essential roles in understanding and controlling the components and morphology of deposited films.In this paper,resonance Raman spectroscopy in conjunction with density functional theory computations are applied to investigate the excited state structural dynamics of zinc bisacetylacetone.The vibrational spectra in solid state,the 282.4 nm resonance Raman spectrum and the 285 nm electronic absorption band in methanol solution were assigned for zinc bisacetylacetone.The results show that the excited state structural dynamics is mostly along 6 totally symmetry vibrational modes with υ11、υ10、υ7 and υ6 being the predominant ones.The relative intensities of υ11、υ10 and υ4 in the resonance Raman spectrum of zinc bisacetylacetone is noted to be different than those of copper bisacetylacetone.The role of anti-symmetry vibrational modes in the excited state reaction dynamics of zinc bisacetylacetone and copper bisacetylacetone is explored.