新型功能碳材料的高压截获

高性能功能材料在诸多领域具有广泛的应用前景,是人们一直关注的研究热点。高压可以有效地改变物质的原子间距和成键方式,是获得新型功能材料的重要途径。在碳材料的高压研究中,许多有趣的功能碳材料,如光学透明碳、高强度弹性碳和超硬非晶碳等,已经通过不同的碳前驱体合成。本文简要介绍了作者近年来在低维碳基纳米复合材料高压研究中取得的进展,基于设计的不同低维碳前驱体,高压下截获了具有超硬特性、新型压致共价聚合及发光增强的碳材料。     

四溴双酚A锑铝双金属化合物的合成及其阻燃性能

以四溴双酚Ａ（ＴＢＡ）合成了在水和空气中稳定的四溴双酚Ａ合锑铝双金属化合物（ＴＢＡＳＡ）．通过ＩＲ、１ＨＮＭＲ和元素分析予以表征，并研究了其对聚乙烯（ＰＥ）和聚环氧乙烷（ＰＥＯ）的阻燃性能．结果表明，这种分子中含有溴、锑和铝的化合物，对聚乙烯和聚环氧乙烷等高聚物材料有高的阻燃性能与消烟效果．     

双安息香缩乙二胺的合成及其配位性质

合成了双安息香缩乙二胺及其与 Ni( )、Pd( )、Pt( )、Zn( )、Cd( )和 Hg( )的配合物 ,并经质谱、红外光谱、元素分析和电子光谱等方法所表征 ;测定了溶液中配合物的稳定常数 ,并就该配体的特殊配位性质进行了讨论。     

Synthesis and photovoltaic properties of main chain polymeric metal complexes containing 1,10‐phenanthroline metal complexes conjugating alkyl fluorene or alkoxy benzene by C═C bridge for dye‐sensitized solar cells

Four main chain polymeric metal complexes (P1–P4) based on 1,10‐phenanthroline metal complexes via the Heck coupling have been synthesized and characterized by Fourier transform infrared spectroscopy, ¹H NMR, UV–Vis absorption, photoluminescence spectroscopy, gel permeation chromatography, thermogravimetric analysis, differential scanning calorimetry, elemental analysis, and cyclic voltammetry. To investigate their photovoltaic properties, the dye‐sensitized solar cells based on these polymers dyes are studied, under the illumination of AM 1.5G, 100 mW/cm². The study results show the four polymers exhibit good thermally stable and the solar cells based on them have good device performance, and the maximum power conversion efficiency is up to 0.735% for the solar cells based on P3 with a short‐circuit current (J_sc) of 1.68 mA/cm² and an open‐circuit voltage (V_oc) of 0.62 V. Copyright © 2012 John Wiley & Sons, Ltd.     

Hybrid process for texturization of diamond wire sawn multicrystalline silicon solar cell

Acid texture is difficult for diamond wire sawn (DWS) multicrystalline silicon (mc‐Si) wafer owing to the inhomogeneous distribution of damage layer on the surface. In this article, metal‐assisted chemical etching (MACE) has been selected for introducing a porous seeding layer to induce acid texturing etching. SEM results show that the oval pit structures coverage get obvious improvement even on the smooth areas. Owing to the further improved light absorption ability by second MACE and nanostructure rebuilding (NSR) process, nanostructured DWS mc‐Si solar cell has exhibited a conversion efficiency of 17.96%, which is 0.45% higher than that of DWS wafer with simple acid texture process. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Simultaneous identification and analysis of cassane diterpenoids in Caesalpinia minax Hance by high‐performance liquid chromatography with quadrupole time‐of‐flight mass spectrometry

Cassane diterpenoids were successfully and simultaneously identified in Caesalpinia minax Hance by high‐performance liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry. A total of 59 peaks were detected, and among them 51 compounds, including 41 furanocassane diterpenoids, 10 furanolactone cassane diterpenoids were simultaneously identified and characterized on the basis of the protonated molecule, retention behavior, and fragments in MS². Ten compounds, including seven novel compounds, were identified or tentatively identified for the first time in C. minax. In a positive ion mode, the fragmentation pathways of cassane diterpenoids were also analyzed for the first time. The relative amounts of the five main diterpenoids (caesalpinin L, caesalpinin F₂, bondcellpin C, caesalpinin E, and ξ‐caesalmin) were simultaneously quantified by high‐performance liquid chromatography. Results showed that the newly discovered and known components of C. minax can be used to determine the material basis of bioactivity; this method can also be applied to analyze cassane diterpenoids in herbal medicines from the genus Caesalpinia belonging to the family Fabaceae.     

Three-Dimensional Diabatic Potential Energy Surfaces of Thiophenol with Neural Networks

Three-dimensional (3D) diabatic potential energy surfaces (PESs) of thiophenol involving the S\begin{document}$_0$\end{document}, and coupled \begin{document}$^1$\end{document}\begin{document}$\pi\pi^*$\end{document} and \begin{document}$^1$\end{document}\begin{document}$\pi\sigma^*$\end{document} states were constructed by a neural network approach. Specifically, the diabatization of the PESs for the \begin{document}$^1$\end{document}\begin{document}$\pi\pi^*$\end{document} and \begin{document}$^1\pi\sigma^*$\end{document} states was achieved by the fitting approach with neural networks, which was merely based on adiabatic energies but with the correct symmetry constraint on the off-diagonal term in the diabatic potential energy matrix. The root mean square errors (RMSEs) of the neural network fitting for all three states were found to be quite small (\begin{document}$<$\end{document}4 meV), which suggests the high accuracy of the neural network method. The computed low-lying energy levels of the S\begin{document}$_0$\end{document} state and lifetime of the 0\begin{document}$^0$\end{document} state of S\begin{document}$_1$\end{document} on the neural network PESs are found to be in good agreement with those from the earlier diabatic PESs, which validates the accuracy and reliability of the PESs fitted by the neural network approach.     

On-line Time Differential Perturbed Angular Correlation with Light Probe Nucleus 19F

An on-line time differential perturbed angular correlation technique has been developed with the light probe nucleus ¹⁹F. The first on-line TDPAC measurement was carried out to determine the field gradient in Cd and quadrupole moment of ¹⁹F (0.197 MeV: I ^π = 5/2⁺, T_1/2 = 89 ns). This revised version was published online in September 2006 with corrections to the Cover Date.     

邻苯二酚衍生物与希土元素的配位反应Ⅱ．铈(Ⅳ)配合物显现颜色机理的探讨

用实验与量化计算对邻苯二酚类衍生物与铈（Ⅵ）生成的配合笺显现颜色的机理进行了探讨，认为是由配体上大π键电子向中心金属离子跃迁所 产生的Ｌ→Ｍ荷移所致。