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.     

磁控溅射ZnO薄膜生长的等离子体发射光谱研究

通过反应磁控溅射过程中的等离子体发射光谱，研究了制备ZnO薄膜的沉积温度、氧气流量比例R=O₂/(O₂+Ar)对Zn和O原子发射光谱的影响，并结合ZnO薄膜的结构和物理性能，探讨了沉积温度在ZnO薄膜生长中的作用.研究结果显示：当R≥0.75%时， Zn的溅射产额随R的增加基本呈线性下降规律.当R介于10%—50%时，氧含量的变化相对平缓，有利于ZnO薄膜生长的稳定性控制.Zn原子发射光谱强度随沉积温度的变化可以分为三个阶段.当沉积温度低于250℃时，发射光谱强 关键词： ZnO 薄膜生长 反应磁控溅射 等离子体发射光谱     

研究性物理实验与大学生创新心理品质培养

文章提出了大学研究性物理实验与创新心理品质培养的主题,介绍了大学研究性物理实验的特点,论述了大学研究性物理实验对大学生创新心理品质的影响。     

Structures and stability of Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>C and Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>N clusters

We report results of the atomic and electronic structures of Al₇C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al₇ cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al₇C^- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al₇C^- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al₇N which has the same number of valence electrons as in Al₇C^- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al₇N)₂ to study interaction between magic clusters. Received 28 July 2001     

Molecular dynamics simulation of processing using AFM pin tool

A three-dimensional molecular dynamics (MD) model is utilized to investigate the effect of tool geometry on the deformation process of the workpiece and the nature of deformation process at the atomic-scale. Results show that different states exist between the atomic force microscope (AFM) pin tool and the workpiece surface, i.e. the non-wear state, the ploughing state, the state in which ploughing is dominant and the state in which cutting plays a key role. A relationship between the deformation process of the workpiece and the potential energy variation is presented. The potential energy variation of atoms in different deformed regions in the workpiece such as plastically deformed region, elastically deformed region and the mixed deformation region is different. The features of variations of potential energy are discussed.     

Relativistic optics in gravitational lensing: The focus of a cluster and its aberrations

In this article, general idea of focusing is studied within the framework of optics extension into general relativity (covariant optics). In a configuration of static spacetime, the general, mathematically rigorous treatment of rays, wavefronts and caustics of spherical symmetry is presented, particularly with regard to problems of obtaining them within general relativity. An original result is the aberration formulation to covariant optics, whose application is given in this paper; a particular solution of Einstein equations is finally chosen to provide concrete, exact results of cluster focal length and its aberration structure. In this way, a gravitational lensing situation is shown to be a true lens.     

EPR-detected photoinduced electron transfer in three structurally related molecular triads

A comparative electron paramagnetic resonance (EPR) study has been performed on a series of structurally related molecular triads which undergo photoinduced electron transfer and differ one from the other in terms of the acceptor or donor moieties. The molecular triads, C-P-C₆₀, TTF-P-C₆₀ and C-P-P_F, share the same free-base, tetraarylporphyrin (P) as the primary electron donor, which after light excitation initiates the electron transfer process, but differ either in terms of the electron acceptor (fullerene derivative, C₆₀, versus fluorinated free-base porphyrin, P_F), or in terms of the final electron donor (carotenoid polyene, C, versus tetrathiafulvalene, TTF). All these molecular triads can be considered artificial photosynthetic reaction centers in their ability to mimic several key properties of the reaction center primary photochemistry. Photoinduced charge separation and recombination have been followed by time-resolved EPR in a glass of 2-methyltetrahydrofuran and in the nematic phase of the uniaxial liquid crystal E-7. All the triads undergo photoinduced electron transfer, with the generation of charge-separated states in both the low-dielectric environment of the 2-methyl-tetrahydrofuran glass and in anisotropic E-7 medium. Different photochemical pathways have been recognized depending on the specific donor and acceptor moieties constituting the molecular triads. In the presence of the tetrathiafulvalene electron donor singlet- and triplet-initiated electron transfer routes are concurrently active. Recombination to the low-lying carotenoid triplet state occurs in the carotene-based triads, while singlet recombination is the only active route for the TTF-P-C₆₀ triad, where a low-lying triplet state is lacking. Long-lived charge separation has been observed in the case of TTF-P-C₆₀: about 8 μs for the singlet-born radical pair in the glassy isotropic matrix and about 7 μs for the triplet-born radical pair in the nematic phase of E-7. For all the molecular triads, a weak exchange interaction (J?1 G) between the electrons in the final spin-correlated radical pair has been evaluated by simulation of the EPR spectra, providing evidence for superexchange electronic interactions mediated by the tetraarylporphyrin bridge.     

Minimal Submanifolds in a Locally Symmetric and Conformally Flat Space

We study minimal submanifolds in the locally symmetric and conformally flat Riemannian manifold and generalize Yau's result obtained in J. Amer. Math. 97 (1975), 76–100.     

Entropy for frame bundle systems and Grassmann bundle systems induced by a diffeomorphism

A Liao hyperbolic diffeomorphism has equal measure entropy and topological entropy to that of its induced systems on frame bundles and Grassmann bundles. This solves a problem Liao posed in 1996 for Liao hyperbolic diffeomorphisms.     

强流脉冲离子束辐照靶及其喷发的数值研究

利用拟合实测的TEMP Ⅱ型加速器磁绝缘二极管(MID)电压波形及其焦点附近束流密度曲线，建立了Gaussian分布模型，据此计算了与靶作用的离子的能量及数量，采用Monte Carlo(MC)方法计算了沉积在靶内的能量.并以此作为热源，与流体动力学(HD)模型相结合，对不同的靶状态采用相应的状态方程，模拟计算了靶内压力演化情况; 同时对烧蚀产生的等离子体采用理想气体状态方程, 结合HD方程组, 模拟计算了喷发过程中压力的空间演化过程. 关键词： 强流脉冲离子束 Gaussian模型 HD方程 数值研究