High Resolution Electron Momentum Spectroscopy Study on Ethanol: Orbital Electron Momentum Distributions for Individual Conformers

The outer-valence binding energy spectra of ethanol in the energy range of 9-21 eV are measured by a high-resolution electron momentum spectrometer at an impact energy of 2.5 keV plus the binding energy. The electron momentum distributions for the ionization peaks corresponding to the outer-valence orbitals are obtained by deconvoluting a series of azimuthal angular correlated binding energy spectra. Comparison is made with the theoretical calculations for two conformers, trans and gauche, coexisting in the gas phase of ethanol at the level of B3LYP density functional theory with aug-cc-pVTZ basis sets. It is found that the measured electron momentum distributions for the peaks at 14.5 and 15.2 eV are in good agreement with the theoretical electron momentum distributions for the molecular orbitals of individual conformers (i.e., 8a' of trans and 9a of gauche), but not in accordance with the thermally averaged ones. It demonstrates that the high-resolution electron momentum spectrometer, by inspecting the molecular electronic structure, is a promising technique to identify different conformers in a mixed sample.     

1-碘丙烷分子的电子动量谱学研究：自旋-轨道耦合效应与分子内轨道相互作用

利用不对称不共面电子动量谱仪,在2.5 keV碰撞能量下,采用高精度的SAC-CI方法计算了1-碘丙烷分子束缚能谱,同时采用Hartree-Fock、B3LYP/aug-cc-pVTZ（C,H）6-311G＊＊（I）方法计算其电子动量分布. 并对电离能峰进行了标示. 结合非相对论与相对论计算方法以及自然键轨道分析,对最外层两个轨道（碘的5p孤对）的自旋-轨道耦合效应与分子内轨道相互作用进行了比较. 两种相互作用对电子动量分布的不同影响是可观的. 实验结果与相对论计算的结果一致,表明1-碘丙烷分子内自旋-轨道耦合效应占主导.     

Momentum transfer dependence behaviors of ionization and dissociation of oxygen

The decay pathways of the structured ionization region of oxygen at different momentum transfers,i.e.,0,0.23 a.u.(atomic unit),and 0.91 a.u.,are studied by measuring the ion and the scattered electron coincidently.It is found that the dipole-forbidden superexcited states of(2σu)-1(c4Σu-)npσu 3Σg-← X3Σg-decay into different channels according to the principal quantum number n.The broad ridge above 35 eV,which may be due to inner-valence excited states of(2σg)-1nλ or multiply excited states,is observed both at small and large momentum transfers,and its decay channel of O++ O is dominant.     

Temperature-Dependent Formation of Redox Sites in Molybdenum Trioxide Studied by Electron Paramagnetic Resonance Spectroscopy

The formation and qualification of redox sites in transition metal oxides are always the active fields related to electronics, catalysis, sensors, and energy-storage units. In the present study, the temperature dependence of thermal reduction of MoO₃ was surveyed at the range of 350 ℃ to 750 ℃. Upon reduction, the formed redox species characterized by EPR spectroscopy are the Mo^V ion and superoxide anion radical (O₂^-) when the reduction was induced at the optimal temperature of 300-350 ℃. When heating-up from 350 ℃, the EPR signals started to decline in amplitude. The signals in the range of 400-450 ℃ decreased to half of that at 350 ℃, and then to zero at ~600 ℃. Further treatment at even higher temperature or prolonged heating time at 500 ℃ caused more reduction and more free electrons were released to the MoO₃ bulk, which results in a delocalized means similar to the anti-ferromagnetic coupling. These data herein are helpful to prepare and study the metal-oxide catalysts.     

基于高损耗信道的纠缠分发实验模拟

实验模拟了总信道损耗70 dB的纠缠分发和Bell不等式的破坏,相当于纠缠光子对从轨道高度350 km的卫星上发射(口径13.5 cm),到仰角大于10°的地面站被接收(口径100 cm)的信道损耗^[11],模拟纠缠分发距离超过千公里;并且通过理论和实验研究,明确了高信道衰减下量子纠缠分发的关键技术突破点,首先必须降低系统暗计数和提高系统时间分辨,在此基础上提高纠缠源的亮度,系统将能容忍更高的信道衰减,实现更远的通信距离. 关键词： 纠缠分发 信道损耗 时间分辨 Bell不等式     

远距离量子通信实验中的高维纠缠源

设计了适用于远距离量子通信实验的高维纠缠源.利用连续激光器抽运产生了极化-时间两体四维纠缠光子对,在抽运功率20 mW下测到每秒700对符合,保真度为89%±3%.相比已有的高维纠缠源,在本文中发展的源具有传输便利、相位稳定性好等优点,适用于未来远距离高维量子通信实验和量子力学基本问题实验检验,如远距离高维量子密码实验、两粒子Greenberger-Horne-Zeilinger定理检验、两粒子量子赝"心灵感应"(quantum pseudo telepathy)实验演示等. 关键词： 高维纠缠 极化纠缠 时间箱纠缠 量子通信     

乙醇分子的高分辨电子动量谱学研究:单个构象异构体的轨道电子动量分布

利用高分辨电子动量谱仪测量了乙醇分子外价轨道的电离能谱,通过对一系列角度关联的电离能谱进行解谱,获得了各个电离能峰对应的分子轨道电子动量分布.利用密度泛函理论方法计算了乙醇分子两种构象异构体的轨道电子动量分布,通过与实验结果进行比较,发现实验测量的电离能为14.5和15.2 eV能峰对应的电子动量分布分别与理论计算的单个构象异构体trans 8a''和gauche 9a轨道电子动量分布符合较好.     

Monte Carlo study of the universal area distribution of clusters in honeycomb O(n) loop model

We investigate the area distribution of clusters (loops) for the honeycomb O(n) loop model by means of worm algorithm with n=0.5, 1, 1.5, and 2. At the critical point, the number of clusters, whose enclosed area is greater than A, is proportional to A^-1 with a proportionality constant C. We confirm numerically that C is universal, and its value agrees well with the predictions based on the Coulomb gas method.