The rotation and the phase transition in solid C60

The interaction between C60's in solid C60 has been calculated by (exp-6-1) potential, and the cause and the controlled factor of the high rapid rotations of C60 's were discussed. In order to describe the disordered degree of C60 rotation, an equivalent M is introduced. The phase transitions at the ~260 K and at the ~90 K are studied from the viewpoint of C60 rotation. The potential barriers of the ordered rotation below the ~260 K and the disordered rotation above the ~260 K have been given, and the effect of the external pressure on the temperature of phase transition has also been given.     

Density of supercritical CO_2-tetrahydrofuran binary mixture and the partial molar volume of the cosolvent

The densities of supercritical CO2-tetrahydrofuran (cosolvent) binary mixture weremeasured at temperatures in range of 308.15 to 323.15 K and at pressure up to 16.5 MPa.The concentrations of tetrahydrofuran were from 0 to 0.57 mol/L.The partial molar volume of tetrahydrofuran was calculated based on the relationship between the density of the mixture and the concentration of the cosolvent.It is observed that the partial molar volume of the cosolvent is negative and the absolute value decreases with increasing pressure and the concentration of the cosolvent.     

2,5-二(2-菲基)-[3,2-b]并二噻吩的合成、表征及在有机薄膜晶体管中的应用

本文合成了2,5-二(2-菲基)-[3,2-b]并二噻吩(PhTT), 表征了其基本的物理和化学性质, 制备了相应的有机薄膜晶体管.     

SSCH3光解离的多参考理论计算

摘要运用多参考微扰理论(Multireference MΦller-Plesset theory)计算了SSCH3垂直激发能及其S-C与S-S两种断键方式的绝热(Adiabatic)与非绝热(Diabatic)的基态和激发态势能曲线, 研究了在193nm激光作用下SSCH3的光解离过程, 理论计算值与实验值相符.     

Ab initio potential energy surface and excited vibrational states for the electronic ground state of Li_2H

A 285-pomt multi-reference configuration-interaction involving single and double excitations ( MRS DCI) potential energy surface for the electronic ground state of L12H is determined by using 6-311G (2df,2pd)basis set.A Simons-Parr-Finlan polynomial expansion is used to fit the discrete surface with a x2 of 4.64×106 The equn librium geometry occurs at Rc=0.172 nm and,LiHL1=94.10°.The dissociation energy for reaction I2H(2A)→L12(1∑g)+H(2S) is 243.910 kJ/mol,and that for reaction L12H(2A')→HL1(1∑) + L1(2S) is 106.445 kl/mol The inversion barrier height is 50.388 kj/mol.The vibrational energy levels are calculated using the discrete variable representation (DVR) method.     

油溶性金属Ni纳米微粒的制备与表征

纳米材料的制备、性能与应用已成为近年来的研究热点之一犤１犦。由于在催化、光学和电学材料中的广泛应用，超细单分散的金属微粒的制备与性质已引起人们的广泛兴趣。通常制备金属纳米微粒的方法有两种：一是把固体金属材料分裂为纳米尺寸的颗粒，如机械粉碎、电弧放电及金属原子蒸气沉积犤２犦，用这种方法制备的金属微粒粒径一般都比较大，且粒子尺寸分布宽，另一种是把金属原子制成纳米尺度的颗粒，如乳液聚合法犤３犦、热解犤４犦、γ－射线辐照犤５犦、脉冲电沉积犤６犦和化学还原犤７犦等，这种方法制备的微粒粒径通常分布窄且粒子小…     

Two New C—21 Steroidal Glycosides from Cynanchum aurichulatum

Two new C-21 steroidal glycosides, cynanauriculoside I and cynanauriculoside Ⅱ, were isolated from the roots of Cynanchum aurichulatum. Their structures were established using spectroscopic methods including one and two-dimensional NMR.     

铁氰化锰修饰玻碳电极的制备及其电化学性能

A thin film of manganese hexacyanoferrate （MnHCF） was electrochemically formed on a glassy carbon （GC） electrode to prepare a chemically modified electrode （CME）. The mechanism of film formation of MnHCF and its growth process were investigated in detail by cyclic voltammetry. The results show that the stoichiometric composition of MnHCF is Mn^ⅢFe^Ⅲ（CN）6, an analogue of prussian yellow. There exist three clear-cut stages in the whole modification process and the last stage is indispensable to the fabrication of homogenized, stable MnHCF film and must last for an appropriate time. The surface morphology of MnHCF/GC electrode was characterized by scanning electron microscopy （SEM）, which further verified the effective deposition of MnHCF film on GC. The kinetic constants of MnHCF/GC electrode process were also evaluated. The resulting MnHCF film modified electrode presented good stability and high electrocatalytic activity toward the oxidation of H2O2, indicating that MnHCF film possesses function of catalase and can be expected for analytical purposes.     

材料化学实验课程体系的改革与建设

结合材料化学实验课程自身的特点及材料化学实验教学的经验，系统阐述我院材料化学实验改革的思路，通过深化材料化学实验教学改革，提高任课教师的学术水平，更新教学内容，优化教学模式，推进教材的系统性建设，实现材料化学实验教学质量的提高，激发学生的学习热情与兴趣，进一步培养学生的创新能力。     

STUDIES ON TUNG OIL COATED REGENERATED CELLULOSE FILMS WITH WATERRESISTANCE

Regenerated cellulose films with water-resistance were obtained by an improved method ofpreparing cellulose cuoxam solution from pulps of agricultural wastes (linters, wheat straw, reedand Bamao). Experimental results showed that the mechanical properties of both the dry. and wetfilms were excellent. Data from IR, SEM and tensile strength measurements implied that thesignificant improvement of water-resistance of the films was due to the cohesion between the thinTung oil covers with hydrophobicity and the regenerated cellulose films. The films werecompletely biodegraded after being buried in soil for 100 days. The transmittance of the filmsderived from linter and reed in visible band range were 80-90%.