Synthesis and Diverse Transformations of a Dinitrogen Dititanium Hydride Complex Bearing Rigid Acridane-Based PNP-Pincer Ligands

Studies on N₂ activation and transformation by transition metal hydride complexes are of particular interest and importance. The synthesis and diverse transformations of a dinitrogen dititanium hydride complex bearing the rigid acridane-based ^acriPNP-pincer ligands {[(^acriPNP)Ti]₂(μ₂-η¹:η²-N₂)(μ₂-H)₂} are presented. This complex enabled N₂ cleavage and hydrogenation even without additional H₂ or other reducing agents. Furthermore, diverse transformations of the N₂ unit with a variety of organometallic compounds such as ZnMe₂, MgMe₂, AlMe₃, B(C₆F₅)₃, PinBH, and PhSiH₃ have been well established at the rigid ^acriPNP-ligated dititanium framework, such as reversible bonding-mode change between the end-on and side-on/end-on fashions, diborylative N=N bond cleavage, the formal insertion of two dimethylaluminum species into the N=N bond, and the formal insertion of two silylene units into the N=N bond. This work has revealed many unprecedented aspects of dinitrogen reaction chemistry.     

飞行器角速度测量的三轴加速度计法

飞行器角速度的测量在航空航天领域是极为重要的问题,然而现在主流的利用陀螺仪测量角速度的方法有造价较高这一问题。本文提出了一种通过测量刚体上非共线三点的加速度得到刚体角速度的方法,可以利用极为廉价的高精度加速度计较为准确地测量高速稳态飞行器的角速度。本文应用刚体运动学中的基点法,得到由刚体上非共线三点的加速度和其距离表示的刚体角速度,并对其进行了误差分析。最终采用数值模拟的方法,分析了此方法在具有较高角速度的飞行器和具有较低角速度的稳态卫星上得到的角速度的适用性。模拟结果表明,此种方法适用于稳态高角速度的飞行器。     

Effect of multiple H‐bonding on the properties of polyimides containing the rigid rod groups

To investigate the influence of hydrogen bonding on the properties of polyimides (PIs) containing rigid rod‐like groups, five symmetrical diamines containing benzimidazole, benzoxazole, and hydroxy group were synthesized, and then a series of PIs were prepared. Results showed that hydroxyl‐containing poly(benzoxazole imide)s possess higher glass transition temperature (T_g) and dimensional stabilities than their corresponding poly(benzoxazole imide)s. Moreover, the corresponding poly(benzimidazole imide)s presented the best performances, such as the highest T_g, the highest char yield and the highest dimensional stabilities. The influence of hydrogen bonding of benzimidazole on the properties of PIs was stronger than that of hydroxyl groups. Hydroxyl‐containing poly(benzoxazole imide)s were formed in crosslinking structures after heat treatment at 400 °C. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54, 570–581     

用刚体理论分析烟囱倒下的断点位置

烟囱倾倒的过程中将会在某处发生断裂.通过刚体理论知识,采用圆台模型分析了烟囱倾倒过程中的动力学过程,通过理论推导找到极值点,理论上推断出烟囱断裂的位置.     

Fire retarded polyurethane foam composites based on steel slag/ammonium polyphosphate system: A novel strategy for utilization of metallurgical solid waste

A series of FR-RPUF composites were prepared by a one-step water foaming process with ammonium polyphosphate (APP) and steel slag (SS) as flame retardants. Thermogravimetric analysis (TG), limiting oxygen index (LOI), UL-94 vertical combustion test, microscale combustion calorimetry (MCC), TG-Fourier transform infrared spectrometry (TG-FTIR), scanning electron microscopy (SEM), Raman spectra and FTIR were used to investigate the thermal stability, flame retardancy, combustion performance, gas phase products, and char residue morphology of FR-RPUF composites. TG test results showed that the initial decomposition temperature (T_-5wt%) and char residue rate at 700°C of RPUF/APP/SS composites were significantly enhanced by the addition of APP and SS, and the thermal stability of the composites was improved. Flame retardant test results confirmed the significantly increased LOI values of RPUF/APP/SS composites with V-0 rating. TG-FTIR also confirmed the obviously decreased release of toxic gases and flammable gases in the combustion of RPUF/APP/SS composites. SEM and Raman spectra of char residues for the composites suggested that APP/SS system improved the compactness and graphitization degree of char layer for RPUF/APP/SS composite. The above researches provide a new strategy for the utilization of SS in fire safety engineering.     

Theoretical approaches for predicting the color of rigid dyes in solution

Aiming at developing an affordable and easily implementable computational protocol for routine prediction of spectral properties of rigid molecular dyes, density functional theory, and time‐dependent density functional theory were used in conjunction with a vibronic coupling scheme for band shape estimate. To predict the perceived color of molecules in solution, a model has been setup linking the UV‐vis spectra predicted at ab initio level to the L *a *b * colorimetric parameters. The results show that a mixed protocol, implying the use of a global hybrid functional for the prediction of adiabatic energy differences and a range separated hybrid for the prediction of potential energy curvature, allows perceived colors to be quantitatively predicted, as demonstrated by the comparison of L *a *b * colorimetric parameters obtained from computed and experimental spectra. © 2017 Wiley Periodicals, Inc.     

刚棒线团分子的自组装研究进展

超分子化学领域的自组装研究是近年来研究的热点,对这种由一种或多种结构单元自发聚集而成具有一定尺寸和结构的过程研究已经取得了重大进展。以亲水基团和亲脂基团为主要构成单元的两亲性分子在自组装领域中的表现优异于其他分子,其亲水的刚性棒状基团和疏水的柔性线团基团通过不同方法共同构成了各种类型的刚柔两亲性分子,而在水溶液中自组装而成不同结构与性能的聚集体又与两亲性分子的结构密切相关。目前,已报道的调控超分子自组装的方法大致可以分为两类,即外部刺激法和自身修复法,本文亦从这两个方面总结了近年来刚棒-线团分子自组装的研究进展。     

ON UNILATERALLY CONSTRAINED MOTIONS OF RIGID BODIES SYSTEMS

ＯＮＵＮＩＬＡＴＥＲＡＬＬＹＣＯＮＳＴＲＡＩＮＥＤＭＯＴＩＯＮＳＯＦＲＩＧＩＤＢＯＤＩＥＳＳＹＳＴＥＭＳＬｉＨｏｎｇｂｏ（李洪波）（ＭＭＲＣ，ＩｎｓｔｉｔｕｔｅｏｆＳｙｓｔｅｍｓＳｃｉｅｎｃｅ，ＡｃａｄｅｍｉａＳｉｎｉｃａ，Ｂｅｉｊｉｎｇ１０００８０...     

Renewal of basic laws and principles for polar continuum theories （XI）——consistency problems

Some consistency problems existing in continuum field theories are briefly reviewed. Three arts of consistency problems are clarified based on the renewed basic laws for polar continua. The first art discusses the consistency problems between the basic laws for polar continua. The second art discusses the consistency problems between the basic laws for polar continua and for other nonpolar continua. The third art discusses the consistency problems between the basic laws for micropolar continuum theories and the dynamical equations for rigid body. The results presented here can help us to get a deeper understanding the structure of the basic laws for various continuum theories and the interrelations between them. In the meantime, these results obtained show clearly that the consistency problems could not be solved in the framework of traditional basic laws for continuum field theories.     

刚体撞块撞击弹性长杆的二次撞击分析

本文采用应力波特征线方法详细分析了刚体撞击固支的弹性长杆的撞击过程，指出当撞块质量和长杆质量的比值满足一定条件时，在第一次撞击过程结束后会发生第二次撞击。