C72,La2@C72几何结构和电子性质的计算研究

采用密度泛涵理论(density functional theory,DFT)中的广义梯度近似(generally gradient approximation,GGA)对富勒烯C72和内掺金属La富勒烯La2@C72三种同分异构体的几何结构和电子结构进行研究.发现在C72的三种同分异构体中,满足独立五边形规则(isolated-pentagon-rule,IPR)的C72(D6d)结构最为稳定;在La2@C72三种同分异构体中,有着两对两两相邻五元环(twofused-pentagon)的La2@C72(#10611)结构最为稳定,而满足IPR的La2@C72(D6d)的结构变成了最不稳定结构.从能级图和态密度图分析得知,笼子稳定性的变化与La原子的原子轨道与C72原子轨道之间的杂化有关.Mulliken电荷分析得知,La2@C72(#10611)的两个La原子共转移了约3个电子给C72,并且,它们几乎分布在整个C笼上,形成的电子结构为La23+@C3-72.净自旋分析得知,La2@C72(#10611)中La原子磁性完全淬灭.     

Synthesis and Reactions of Some New Pyrrolylfuro[2,3‐d]Pyrimidines and Pyrrolopyrazinofuropyrimidines

5‐Amino‐4‐methyl‐2‐phenyl‐6‐substitutedfuro[2,3‐d]pyrimidines ( 2a‐c ) were reacted with 2,5‐dimethoxytetrahydrfuran to afford the pyrrolyl derivatives 3a‐c . Compound 3a was chosen as intermediate for the synthesis of poly fused heterocycles incorporated furopyrimidines moiety 4–11 . Some of the synthesized compounds were screened for their antibacterial and antifungal activities.     

开设实验选修课培养学生创新能力

介绍了复旦大学物理教学实验中心为培养学生创新能力开设的4门实验选修课的特点、要求以及在培养学生创新能力方面取得的成效。     

A Novel Biomass Supported Na2CO3 System for Flue Gas Desulfurization

The breakthrough and stoichiometric SO2 adsorption efficiencies of a biomass supported Na2CO3 system (80 wt %Na2CO3/straw) have reached 48.9% and 80.6% respectively at a desulfurization temperature of 80℃.     

R-拟连续模的不可分分解

设R是环,M是R-拟连续左R-模.如果R关于形如l（m）,m∈M的左理想满足升链条件,则M可写成一致子模的直和.     

Cn中不同域的复合算子

令Ω1与Ω2与C^n中的两个有界齐性域，假设φ：1Ω→Ω2是一个全纯映射。在本中，我们研究相应的复合算子Cφ：β（Ω2）→β（Ω1）的有界性和紧性，特别地，我们讨论取B^n和U^n的情形。     

关于矩阵方程X+A*X-nA＝I的正定解

本文对任意正整数n界定了矩阵方程X A*X-nA=I的正定解的特征值的范围,给出了它的极大正定解一个充分条件.     

Three New Polyoxygenated Steroids from Two Species of the South China Sea Gorgonian Muricella flexuosa and Menella verrucosa Brundin

Three new polyoxygenated steroids, muricesteroid ( 1 ), and menellsteroids A ( 2 ) and B ( 3 ), were isolated from two species of the South China Sea gorgonian Muricella flexuosa and Menella verrucosa Brundin , respectively. The structures of these new compounds were elucidated on the basis of extensive spectroscopic analysis, chemical methods and comparison with known related compounds.