Crystal Structure and Sensitive Response toward Al~(3+) of the Furaldehyde Schiff Base

A furaldehyde Schiff base, 4-[(2-furanylmethylene)amino]phenol(FMAP), was synthesized and fully characterized by elemental analysis, ~1 H-NMR, IR, MS, UV-Vis, fluorescence and single-crystal X-ray diffraction. It crystallizes in the monoclinic system, space group P2_1/n with a = 6.2566(6), b = 13.2273(11), c = 11.3056(9) ?, β = 93.1800(10)o, V = 934.19(14) ?~3, Z = 4, M_r = 187.19, D_c = 1.331 g/cm~3, λ = 0.71073 ?, F(000) = 392, GOOF = 1.022, R = 0.0396 and wR = 0.0992 for 4569 observed reflections with I 2σ(I). Fluorescent spectroscopic investigation revealed that the Schiff base exhibited a high selectivity and sensitivity toward Al~(3+) over other common metal ions in ethanol solution, and the detection limit of Al~(3+) is up to 1.2 × 10~(-7) M. The mass spectra and Job's plot analysis confirm the 1:1 stoichiometry between FMAP and Al~(3+).     

碘钨酸银/碳纳米管复合材料的制备及其光催化应用初探

本文采用水热合成法制备碘钨酸银/碳纳米管复合材料和碘钨酸银单一材料,并对其进行扫描电子显微镜、X-射线粉末衍射、红外光谱表征、紫外-可见光漫反射以及电化学性质的测试.初步探究其光催化性能,实验结果表明,碘钨酸银/碳纳米管复合材料的催化性能较好,其光催化降解亚甲基蓝在60分钟可达到85.4％.     

蓝光材料Ir(Ⅲ)配合物的磷光效率与光谱的振动关联函数研究

由于发光效率低和稳定性差,蓝色磷光材料一直是发光材料研究领域的瓶颈.为了更深层次地理解蓝色磷光分子结构与发光效率之间的关系,本工作结合密度泛函理论,运用作者新近发展的系间窜越速率的振动关联函数计算方法,定量研究了新型蓝光发射分子fac-tris(2-(4,6-difluorophenyl)pyridyl iridium(fac-Ir(F2ppy)3)的磷光光谱、辐射跃迁和无辐射跃迁速率及其与温度的依赖关系,计算结果很好地解释了实验测量结果.计算表明:(1)相较于未取代的绿光材料fac-Ir(ppy)3,杂原子F的引入增加了T1与S0的能隙,使得光谱蓝移,但没有带来额外的分子结构弛豫的重整能,从而使得该蓝色材料保持了高的发光效率;(2)无辐射跃迁过程所耗散的电子激发态能量主要是通过配体L1中的连接氟化苯环和吡啶环的C(5)—C(46)键、吡啶环内C(43)—C(44)键和C(42)—C(47)键及氟化苯环内的C(3)—C(6)键的伸缩振动,因此,理论研究表明可以通过分子设计来抑制这些振动来进一步提高这类材料的发光效率.