高阶多量子跃迁的一维直接检测——Raman磁共振方法

研究了异核AX₃自旋体系的初始态为最高阶量子相干态时的Raman磁共振谱.研究表明,唯有制备高阶多量子相干的初始态时才有可能对高阶多量子跃迁进行有效检测.积算符理论的精确性使得理论上准确地预言了Raman磁共振谱中各阶多量子跃迁频率、谱线强度,使得各阶多量子跃迁频率相互交错时仍有可能解析谱图.在Raman磁共振实验中采用了正负频偏交替变化采样的方法,对单量子信号进行压制,使其更有效地观察高阶多量子跃迁.     

应用积算符理论研究弱耦合双自旋体系的Raman磁共振谱

从积算符理论和实验上详细地研究了弱耦合双自旋体系（CHCl₃的C-H双自旋体系）的Raman磁共振谱．对不同射频场强度及频偏的Raman谱进行了细致的理论和实验研究，表明积算符理论的计算与实验不仅在弱射频场而且在强射频场时都符合得相当好，克服了微扰论的局限，这为进一步研究复杂自旋体系的Raman谱提供了强有力的理论方法．研究还表明，小的射频频偏将有利于多量子跃迁信号的观测，而适当的射频场强则会提高多量子峰的强度 关键词：     

最高量子相关谱技术在同核偶合常数测定中的应用(英文)

偶合常数是一个重要的NMR参数,其数值与分子中化学键的二面角有关,可以为分子结构研究提供很重要的信息.多维NMR谱由于具有较大的化学位移分辨率,因此常常被用来测定同核或异核自旋-自旋偶合常数.本文介绍了利用最高量子相关技术(MAXY)测定同核偶合常数的方法.MAXY是最近发展的一种多维NMR谱编辑技术,可以使不同官能团(CH,CH₂,CH₃)的相关峰分布于不同的图谱区域,因此比常规的二维谱具有更高的化学位移分辨率.而且被分离开来的NMR相关峰呈吸收性线型,能清楚地展示各自的偶合分裂特征,可以直接用于测定偶合常数.     

探测大气中CO2的Raman激光雷达

基于大气激光后向散射光谱，研究和设计了探测大气CO₂浓度的Raman激光雷达,其发射机采用Nd∶YAG激光的三倍频354.7nm作为工作波长,发射的单脉冲能量350mJ,重复频率20Hz；接收机采用了光电倍增管(量子效率25%)和光子计数器(计数速率200MHz),探测CO₂的Raman散射371.66nm(频移1285cm^-1)信号,(1小时累加)近地面2.5km以内信噪比不小于8.采用组合滤光片来抑制强的354.7nm Mie-Rayleigh后向散射和氧气375.4nm Raman后向散射对信号的严重干扰. 比较分别来自大气CO₂和参考气体N₂的Raman后向散射回波,可反演出大气中CO₂的相对浓度. 关键词： 大气光学 激光雷达 Raman散射光谱 参考气体 Mie-Rayleigh散射     

嘧螨酯波谱学数据全归属

嘧螨酯为一种新型杀螨剂和STAT₃激活抑制剂. 该文对嘧螨酯的紫外吸收光谱(UV)、红外吸收光谱(IR)、质谱(MS)、核磁共振氢谱(¹H NMR)、核磁共振碳谱(¹³C NMR)、DEPT谱、¹H-¹H COSY谱、异核单量子相关谱(HSQC)、异核多键相关谱(HMBC)进行了解析,并对该化合物所有的核磁信号进行了全归属;同时讨论了紫外光谱吸收带位置和吸收强度与该化合物的生色团对应关系、红外光谱特征吸收峰与该化合物的各官能团的对应关系、氟原子(F)对其¹³C NMR的影响以及质谱离子碎片的归属和化合物的裂解规律. 该研究将为嘧螨酯的结构确证及其他相关研究提供参考.     

卡泊三醇的核磁共振谱解析

利用核磁共振氢谱（¹H NMR）、碳谱（¹³C NMR）、同核位移相关谱（¹H-¹H COSY）、异核单量子相干谱（HSQC）和异核多键相关谱（HMBC）等多种核磁研究方法对抗银屑病药物卡泊三醇的¹H、¹³C信号进行完全归属.     

法罗培南钠的波谱学数据与结构确证

法罗培南钠是一种新型的口服青霉烯类抗生素,对法罗培南钠的紫外吸收光谱(UV)、红外吸收光谱(IR)、质谱(MS)、核磁共振氢谱(¹H NMR)、氢 氢相关谱(¹H-¹H COSY)、核磁共振碳谱(¹³C NMR)、DEPT谱、异核单量子相关谱(HSQC)、异核多键相关谱(HMBC)进行了解析,对其所有的NMR谱信号进行了归属;讨论了红外光谱特征吸收峰所对应的官能团的振动形式,确证了法罗培南钠的结构.     

镶嵌在SiO2薄膜中InAs纳米颗粒的Raman散射

对镶嵌在SiO₂薄膜中纳米InAs颗粒的Raman散射谱进行了研究.与大块InAs晶体相比,InAs纳米颗粒的Raman散射谱具有相似的特征,即由纵光学声子模和横光学声子模组成,但是散射峰宽化并红移.用声子限域效应解释了散射峰的红移现象,并结合InAs纳米颗粒的应力效应解释了红移量与理论值的差异. 关键词： 2薄膜')" href="#">SiO₂薄膜 InAs量子点 Raman散射     

二己二硫醚多层膜局域结构的近边x射线吸收精细结构研究

利用多重散射团簇(MSC)方法计算了二己二硫醚［CH₃(CH₂)₅S］₂单分子和多分子硫原子近边x射线吸收精细结构(NEXAFS)谱，给出了二己二硫醚多层膜的局域结构模型. MSC研究显示多层膜中二己二硫醚分子作平行有序排列，彼此相距0.47nm，其横截面呈规则的正方形. 利用离散变分Xα方法计算了二己二硫醚单分子和多分子的电子结构，验证了MSC的计算结果；并阐明了NEXAFS谱中各峰的物理起源. 对多层膜中分子之间的相互作用进行了讨论，发现多层膜的局域结构有分子自组装的特性. 关键词： 3(CH₂)₅S］₂多层膜')" href="#">二己二硫醚［CH₃(CH₂)₅S］₂多层膜 近边x射线吸收精细结构 多重散射团簇方法 离散变分Xα方法     

Al2O3薄膜/纳米Ag颗粒复合结构的光吸收谱及增强Raman散射光谱研究

Al₂O₃介质薄膜与纳米Ag颗粒构成的复合结构,被应用于表面增强Raman散射探测实验中,其中Al₂O₃介质薄膜对纳米Ag颗粒的吸收谱及增强Raman散射光谱的影响被特别关注.该复合结构的光学特性表征出纳米Ag颗粒的偶极振荡特性.从光吸收谱中可以看到,其共振吸收谱随Al₂O₃介质薄膜厚度增加而在整个谱域上发生红移,表明纳米Ag颗粒的周围介电常数随Al₂O₃介质薄膜厚度的增加而增大.采用罗丹明6G作为探针原子,6个Raman特征峰的平均增益值作为表征表面增强Raman散射衬底增益程度的量度.实验结果表明,Al₂O₃介质薄膜层的引入提高了纳米Ag颗粒的衬底介电常数,并引起了散射共振的增强,从而使表面增强Raman散射强度提高. 关键词： 纳米Ag薄膜 共振吸收 表面增强Raman散射 介电常数     

ONE-DIMENSIONAL DETECTION OF HIGHER-ORDER MULTIPLE QUANTUM TRANSITIONS BY RAMAN MAGNETIC RESONANCE

研究了异核AX     

Off resonance heteronuclear spin-decoupling in solids

It is shown that, under what may be called an “intermediate” decoupling condition, off-resonance heteronuclear spin decoupling of an abundant spin causes not only a line broadening, but also a line splitting, and a frequency shift of the NMR spectra of the dilute spin in solids. Typical examples of the fineshape behavior as a function of off-resonance decoupling frequency are presented and analyzed for the CH, CH₂, and CH₃ carbon nuclei in a single crystal of dimedone. The quadratic dependence of the linewidth on the off-resonance decoupling frequency, under the “strong near resonance” decoupling condition, is examined for both the single-crystal case, and for the CP-MAS spectrum of dimedone.     

Coherent control of spin precession motion with impulsive magnetic fields of half-cycle terahertz radiation

Coherent control of the precession motion of magnetizations in a single crystal YFeO3 with double half-cycle pulse terahertz waves was demonstrated. Quasiferromagnetic (0.299 THz) and quasiantiferromagnetic (0.527 THz) precession modes were selectively excited by choosing an appropriate interval of two pulses and were observed as free induction decay (FID) signals from the spin system. By observing the circularly polarized FID signals due to ferromagnetic resonance, we also succeeded in confirming directly the energy storage in the spin system and recovery from that to the electromagnetic radiation.     

Sensitivity enhancement in structural measurements by solid state NMR through pulsed spin locking

Free induction decay (FID) signals in solid state NMR measurements performed with magic angle spinning can often be extended in time by factors on the order of 10 by a simple pulsed spin locking technique. The sensitivity of a structural measurement in which the structural information is contained in the dependence of the integrated FID amplitude on a preceding evolution period can therefore be enhanced substantially by pulsed spin locking in the signal detection period. We demonstrate sensitivity enhancements in a variety of solid state NMR techniques that are applicable to selectively isotopically labeled samples, including 13C-15N rotational echo double resonance (REDOR), 13C-13C dipolar recoupling measurements using the constant-time finite-pulse radio-frequency-driven recoupling (fpRFDR-CT) and constant-time double-quantum-filtered dipolar recoupling (CTDQFD) techniques, and torsion angle measurements using the double quantum chemical shift anisotropy (DQCSA) technique. Further, we demonstrate that the structural information in the solid state NMR data is not distorted by pulsed spin locking in the detection period.     

Adiabatic passage schemes in coupled semiconductor nanostructures

Adiabatic passage schemes in coupled semiconductor quantum dots are discussed. For optical control, a doped double-dot molecule is proposed as a qubit realization. The quantum information is encoded in the carrier spin, and the flexibility of the molecular structure allows to map the spin degrees of freedom onto the orbital ones and vice versa, which opens the possibility for high-finesse quantum gates by means of stimulated Raman adiabatic passage. For tunnel-coupled dots, adiabatic passage of two correlated electrons in three coupled quantum dots is shown to provide a robust and controlled way of distilling, transporting and detecting spin entanglement, as well as of measuring the rate of spin disentanglement. Employing tunable interdot coupling the scheme creates, from an unentangled two-electron state, a superposition of spatially separated singlet and triplet states, which can be discriminated through a single measurement. Finally, we discuss phonon-assisted dephasing in quantum dots, and present control strategies to suppress such genuine solid-state decoherence losses.     

Interband collective electronic excitations in resonant Raman scattering of two-subband quantum wires

Using the bosonization technique, a theory for the collective excitations of the interacting electrons in quantum wires with two subbands occupied is developed. The dispersion relations for the inter-subband charge and spin density excitations are determined. The results are used to interpret the features observed in recent measurements of the Raman spectra of AlGaAs/GaAs quantum wires, particularly for photon energies near band gap resonance. It is shown that peaks previously identified as “single particle excitations” are signatures of higher order collective spin density excitations. Predictions about the observability of the interband modes are made. Received 8 February 1999     

Chemical shift anisotropy and offset effects in cross polarization solid-state NMR spectroscopy

The effect of an offset term in the cross-polarization (CP) Hamiltonian of a heteronuclear spin-12 pair due to off-resonant radio frequency (rf) irradiation and/or chemical shift anisotropy on one of the rf channels is investigated. Analytical solutions, simulations, and experimental results are presented. Formulating the CP spin dynamics in terms of an explicit unitary evolution operator enables the CP period to be inserted as a module in a given pulse scheme regardless of the initial density matrix present. The outcome of post-CP manipulation via pulses can be calculated on the resulting density matrix as the phases and amplitudes of all coherence modes are available. Using these tools it is shown that the offset can be used to reduce the rf power on that channel and the performance is further improved by a post-CP pulse whose flip angle matches and compensates the tilt of the effective field on the offset channel. Experimental investigations on single crystalline and polycrystalline samples of peptides confirm the oscillatory nature of CP dynamics and prove the slowing down of the dynamics under offset and/or mismatch conditions.     

Quantum and Classical Correlations in the Solid-State NMR Free Induction Decay

The free induction decay (FID) of the transverse magnetization in a dipolar-coupled rigid lattice is a fundamental problem in magnetic resonance and in the theory of many-body systems. As it was shown earlier the FID shapes for the systems of classical magnetic moments and for quantum nuclear spin ones coincide if there are many nearly equivalent nearest neighbors n in a solid lattice. In this paper, we reduce a multispin density matrix of above system to a two-spin matrix. Then we obtain analytic expressions for the mutual information and the quantum and classical parts of correlations at the arbitrary spin quantum number S, in the high-temperature approximation. The time dependence of these functions is expressed via the derivative of the FID shape. To extract classical correlations for S > 1/2 we provide generalized POVM measurement (positive-operator-valued measure) using the basis of spin coherent states. We show that in every pair of spins the portion of quantum correlations changes from 1/2 to 1/(S + 1) when S is growing up, and quantum properties disappear completely only if S → ∞.