XANES SPECTROSCOPIC STUDIES OF EVAPORATED PORPHYRIN FILMS : MOLECULAR ORIENTATION AND ELECTRONIC STRUCTURE
XANES SPECTROSCOPIC STUDIES OF EVAPORATED PORPHYRIN FILMS : MOLECULAR ORIENTATION AND ELECTRONIC STRUCTURE
复制标题
蒸发卟啉薄膜的 XANES 光谱研究：分子取向和电子结构
DOI：
10.1021/j100004a038
复制
发表时间：
1995
期刊：
影响因子：
--
通讯作者：
K. Seki
中科院分区：
文献类型：
--
作者：
S. Narioka;H. Ishii;Y. Ouchi;T. Yokoyama;T. Ohta;K. Seki
用偏振X射线吸收近边结构（XANES）谱研究了5，10，15，20-四苯基卟啉锌（ZnTPP）和5，10，15，20-四苯基卟啉（H2-TPP）在银衬底上的蒸发膜。借助CNDO/S2计算和等效核近似对模型化合物进行了理论模拟，对N-K边XANES谱进行了特征归属，并考察了N-K边XANES谱探测N* 部分空态密度（PDOUS）的可行性. XANES谱的偏振依赖性分析表明，在367 K下沉积在Ag衬底上的ZnTPP分子具有高度的取向性，其中心大环平面相对于衬底表面的倾角为28±10 °。另一方面，ZnTPP薄膜蒸发在室温substratesand H2 TPP薄膜表现出很小的指示规则的取向。
Evaporated films of zinc 5, 10, 15, 20-tetraphenylporphyrin (ZnTPP) and 5, 10, 15, 20-tetraphenylporphyrin (H2-TPP) on Ag substrates were studied by polarized X-ray absorption near-edge structure (XANES) spectroscopy. With the aid of theoretical simulation by CNDO/S2 calculations with the equivalent core approximation for model compounds, features in the N K-edge XANES spectra were assigned, and the feasibility of probing the N* partialdensity of unoccupied states (PDOUS) by the N K-edge XANES was examined. The analysis of polarization dependence of XANES spectra revealed that ZnTPP molecules in the film deposited on Ag substrate at 367 K have a high degree of orientation with the central macrocyclic plane inclined by 28±10 to the substrate surface. On the other hand, ZnTPP films evaporated on room-temperature substratesand H2TPP films showed little indication of regular orientation.