Self-Assembly of C3 Symmetric Rigid Macrolactams into Very Polar and Porous Trigonal Crystals

Cyclohexane and cyclotri-β-alanyl have been used as scaffolds for the design of new C₃-symmetric rings incorporating conjugated alkenes and dienes. All three C₃-symmetric lactams share the same triangular shape and their crystal system is trigonal. They all belong to the R3 space group, R3m, R3 and R3c, for the increasingly large 12-, 18- and 24-membered rigid rings, respectively. All lactams stack on top of each other, through H-bonds and van der Waals noncovalent interactions, leading to endless supramolecular cylinders and tubes. The largest member of the family leads to tubes, the central pores of which is wide enough to let water in. A common feature of all the lactams is their very large dipole, of around 9 D, according to DFT calculations. Surprisingly, all the resulting cylinders and tubes pack side by side in the crystals, with all the dipoles pointing to the same direction. As a result, all three crystals are anisotropic and appear to be the first members of a new kind of highly polar crystals.     

匀速运动的电偶极子的电场和磁场分布

本文通过对电偶极子电磁势的分析和相对论下电磁场在不同惯性系中的协变分布，计算了作匀速直线运动的电偶极子的电场和磁场的空间分布．     

金纳米粒子光学性质中的尺寸和形状效应

纳米尺度的金属及半导体呈现出特殊的光学、电学及磁学性质,采用近年发展起来的离散偶极近似(DDA)的方法,我们分析了金纳米粒子的尺寸及形状对其光学性质的影响。粒子周围介质的影响在文中亦作了分析。计算结果显示,金纳米粒子的等离子体吸收带同时受到粒子尺寸和形状的影响,但来自形状的影响更为明显。与米氏理论及扩展的甘氏理论相比较,DDA方法在粒子尺寸不再远小于入射光波长的时候更准确,并能应用于任何形状的纳米粒子。理论计算与实验结果能较好的吻合。     

Quantitative Comparison of REAPDOR and TRAPDOR Experiments by Numerical Simulations and Determination of H–Al Distances in Zeolites

Quantitative H–Al distances in acid sites of two zeolites with MFI and IFR framework topology were obtained by numerical simulation of ¹H{²⁷Al} rotational echo adiabatic passage double resonance (REAPDOR) experiments. A ²⁷Al offset-dependent data set yields for each resolved ¹H NMR line a corresponding nuclear electric quadrupole coupling constant of the neighboring ²⁷Al site. This information is used for analyzing a second data set for on-resonance irradiation, where the dipolar evolution time (number of rotor cycles) was varied, to yield the ¹H–²⁷Al dipolar coupling constant. Numerical simulations indicate that the REAPDOR method does not depend significantly on the polar angles, defining the orientation of the electric field gradient tensor of ²⁷Al with respect to the Al–H dipolar vector. In contrast, the transfer of populations in double resonance sequence is sensitive to these angles, and it can be thus used to measure them.     

关于三维各向同性谐振子径向矩阵元计算的讨论

根据广义Laguerre多项式的数学性质，导出了较为简单的三维各向同性谐振子径向矩阵元的普遍公式,并在这基础上计算了一些重要特殊情形的径向矩阵元: 矢径r整数次幂的平均值，电偶极跃迁矩阵元和电四极跃迁矩阵元. 关键词： 三维各向同性谐振子 径向矩阵元 广义Laguerre多项式 偶极跃迁 四极跃迁     

7-Hydroxy-4-methyl-8-(4′-methylpiperazine-1′-yl)methyl coumarin: An efficient probe for fluorescence resonance energy transfer to a bioactive indoloquinolizine system

Solvatochromic effects on the fluorescence behavior of 7-hydroxy-4-methyl-8-(4′-methyl-piperazine-1′ yl)methylcoumarin (HMMC) was studied in different solvents. The fluorescence of HMMC was found to be highly sensitive to both the polarity and the protic character of the solvent. Exploiting the polarity-sensitive fluorescence property of HMMC, its excited-state dipole moment has been determined. Fluorescence (Förster) resonance energy transfer (FRET) process from HMMC to a potent bioactive molecule 3-acetyl-4-oxo-6,7-dihydro-12 H indolo-[2,3-a] quinolizine (AODIQ) was studied. From the determined K_SV and R₀ values, it is argued that a long-range dipole-dipole interaction is operating for the energy transfer mechanism. The energy transfer efficiency (E) and the distance between the acceptor and the donor (r₀) have been determined.     

Study of photon-induced L3 vacancy alignment for elements La to U

Alignment of photon-induced L₃ vacancies is studied in rare earth and highZ elements at energies of experimental interest, near thresholds to 60 keV, under nonrelativistic dipole approximation. Numerical calculations of the matrix element are undertaken to produce theoretical data for comparison with the experimental findings. The A₂ values being s>0.1 at photoelectron energies <20 keV are certainly higher than 5–8% uncertainties quoted in experimental results. Present findings are from a very basic model, hydrogen-like and can further be treated as reference to observe the impact of screening, relativistic, multipole and retardation corrections to the model     

定轴转动带电体的远区磁场分布

类比定轴转动刚体转动惯量以及电偶极子电场的计算方法，得出定轴转动带电体的磁矩及其远区磁场分布。     

强流RFQ的稳定性设计研究

对强流RFQ耦合间隙的确定、二极模稳定杆的设计进行了详细的研究和讨论.利用现有的RFQ冷模,进行了本征模频率的测量、场分布的调试和测量、二极模稳定杆的试验.并通过与模拟结果的比较,验证了模拟程序在RFQ腔体设计中的可靠性.同时,对影响RFQ稳定性设计的物理进行了有益的探讨.     

One case of vortex motion in fluid

This text presents an English translation of the significant paper [6] on vortex dynamics published by the outstanding Russian scientist S. A. Chaplygin, which seems to have almost escaped the attention of later investigators in this field. Although it was published more than a century ago, in our opinion it is still interesting and valuable. __________ Originally published in: Trudy otdeleniya fizicheskikh nauk imperatorskogo Moskovskogo obshchestva lyubitelei estestvoznaniya, antropologii i etnografii (Transactions of the Physical Section of Moscow Society of Friends of Natural Sciences, Anthropology and Ethnography), 1903, Vol. 11, No. 2, pp. 11–14. Translated from Russian by S. Ramodanov; edited by D. Blackmore; commented by V. V. Meleshko (Department of Theoretical and Applied Mechanics, Faculty of Machanics and Mathematics, Kiev National Taras Shevchenko University, 01030 Kiev, Ukraine. E-mail: meleshko@univ.kiev.ua) and G.J.F. van Heijst (Fluid Dynamics Laboratory, Faculty of Applied Physics, Eindhoven University of Technology, 5600 MB Eindhoven, The Netherlands. E-mail: g.j.f.v.heijst@tue.nl).