Normal Coordinate Analysis of 3-Bromo-1,3-Dinitroazetidine

Abstract

The infrared spectrum of 3-bromo-1,3-dinitroazetidine was interpreted with the aid of normal coordinate calculations. A seventy-two parameter modified valence field was used in those calculations, and the observed wave numbers were fit with an average error of 2.5 cm^?1. An assignment of the bands in terms of symmetry coordinates is given. Many of the force constants were transferred to 1-acetyl-3,3-dinitroazetidine to aid in normal coordinate calculations for that compound.     

Fourier Transform 13C NMR Analysis of Some Methaqualone Metabolites

The natural abundance carbon-13 nuclear magnetic resonance spectra of some methaqualone metabolites were recorded using the pulse fourier transform technique. The chemical shift of various carbon resonances have been assigned on the basis of the chemical shift theory, multiplicities observed in SFORD spectrum and comparison with the chemical shifts of the corresponding carbons of methaqualone.     

Vibrational Spectra of 2,2′-Pyridil and 2,2′-Pyridil-18O and Assignment of Infrared and Raman Bands

Abstract

Vibrational spectra of 2,2′-pyridil and 2,2′-pyridil-¹⁸O in the solid state and in solutions have been measured in the Raman (4000–50 cm^?1) and infrared (4000–100 cm^?1). The assignment of the bands observed is performed using the group vibrational concept and isotopic shifts data of the normal modes. The presence of synand anti-phase vibrations of both pyridyl rings is discussed. The results are compared to the corresponding data for some similar molecules.     

Circulant Double Coverings of a Circulant Graph of Valency Four

Several isomorphism classes of graph coverings of a graph G have been enumerated by many authors (see [3], [8]–[15]). A covering of G is called circulant if its covering graph is circulant. Recently, the authors [4] enumerated the isomorphism classes of circulant double coverings of a certain kind, called typical, and showed that no double covering of a circulant graph of valency 3 is circulant. In this paper, the isomorphism classes of connected circulant double coverings of a circulant graph of valency 4 are enumerated. As a consequence, it is shown that no double covering of a non-circulant graph G of valency 4 can be circulant if G is vertex-transitive or G has a prime power of vertices. The first author is supported by NSF of China (No. 60473019) and by NKBRPC (2004CB318000), and the second author is supported by Com²MaC-KOSEF (R11-1999-054) in Korea.     

Ar2H+ 分子振动光谱的理论计算

基于近期由本组提供的Ar2 H+ 分子的基态势能面 ,应用含时波包演化方法 ,计算了总角动量J =0时的振动光谱 ,并对其中的一些谱峰进行了指认 .与现有的abinitio结果进行比较 ,这个新势能面包含了关于Ar2 H+ 基态的比较正确的信息     

CO_2激光边带光谱仪用于SF_6分子v_3带Q支吸收谱的研究

用绝对频率精度优于1.2MHz的CO_2激光边带光谱仪记录了SF_6分子v_3带Q支的多普勒受限吸收谱,光谱范围在CO_2激光10P(16)支线中心两侧,距支线中心8.0～12.4 GHz。用内插法以<6MHz的均方误差测量了百余条跃迁谱线的频率,并标识出Q_Z、Q_R、Q_X、Q_W、Q_A等亚支的谱线,量子数J从26到83。用最小二乘法拟合实验数据得到了v_3带的部分光谱常数。     

弱形变双奇核158Tm中的旋称反转

通过融合蒸发反应¹⁴⁴Nd(¹⁹F,5n)布居了双奇核¹⁵⁸Tm的高自旋态. 扩展了原来已知的带结构, 并建立了一条新转动带. 通过与相邻核的比较, 讨论¹⁵⁸Tm核中两条四准粒子带的内禀组态, 并分别指定为πh_11/2\otimes νh_9/2(α=+1/2)\otimes (νi_13/2)²和πh_11/2\otimes νh_9/2(α=－1/2)\otimes (νi_13/2)² 组态. 建立在πh_11/2\otimes νi_13/2组态上的转动带被观测到呈现持续旋称反转现象, 而前述的两条高自旋区的 四准粒子转动带也呈旋称反转. 对这两种类型的旋称反转现象的可能机制进行了简单而定性的讨论.     

随机配置问题的概率分析

假设(ti,j)1≤i,j≤n是一个n×n的具有独立同分布,参数为1的指数费用矩阵.考虑最优配置费用Ane=:minπsumfromi=1ton=1ti,π(i),其中π=(π(1),…,π(n))为1,2,…,n的排列.本文目的是对最近关于平均最优配置费用EAne的研究进展作些评论,特别关注Aldous的目标方法和局部弱收敛性,以及著名的Parisi猜想和证明.文章结尾包含了一些尚未解决的问题,值得进一步研究.