Yb：YAG晶体中的色心

在用引上法生长的Ｙｂ：ＹＡＧ晶体中，存在一个独特的色心，其吸收带位于３７５ｎｍ的６２５ｎｍ，随着Ｙｂ２Ｏ３掺杂浓度的增加，色心浓度增加，探讨了晶体生长过程中色心形成机理。高强γ射线辐照Ｙｂ：ＹＡＧ晶体，诱导大量色心的形成。晶体中的 对激发态Ｙｂ＾３＋离子的荧光寿命具有流淬火效应，因此，Ｙｂ：ＹＡＧ激光晶体需要经高温退火，消除色心的影响。     

色心晶体及激光研究进展

色心激光是当前及今后固体可调谐激光领域的主要研究对象之一。该文综合评述了碱卤化物色心晶体及激光的研究发展概况，系统地探讨了色心的结构、光谱性质和色心晶体的制备，客观地分析了Ｆ型色心、Ｆ２＾＋型色心的发展、现状及主要激光性能。     

掺质KCl晶体F_A色心电子能级

在计算KCl晶体中的F_A心电子能级时,本文认为是基质和掺质对色心电子云束缚的松紧程度之差确定了电子云分布,据此对三种典型的掺质:Li:KCl:F_A(II);Cu:KCl:F_A(III);Ti:KCl:F_A(III),采用不同的出发点进行计算,结果和实验值比较,误差在5%以内.     

Yb:YAG晶体的光谱性能

系统地研究了不同掺杂浓度的Ｙｂ：ＹＡＧ晶体的光谱特性,通过吸收光谱的测量计算了晶体的吸收截面,用对易法计算了晶体的发射截面。在Ｙｂ：ＹＡＧ晶体毛坯中发现Ｙｂ＾２＋和色心,其浓度随Ｙｂ：ＹＡＧ晶体中Ｙｂ＾３＋的增加而增加。经１４００℃氧气氛退火后消失。首次用光子激发和Ｘ射线激发研究了Ｙｂ：ＹＡＧ晶体的荧光特性。     

Tm：YAG晶体的光谱及激光特性研究

测试了Ｔｍ：ＹＡＧ晶体的室温吸收光谱和荧光光谱，计算了各吸收谱线的振子强度，并根据Ｊｕｄｄ－Ｏｆｅｌｔ理论了Ｔｍ：ＹＡＧ晶体的荧光跃迁截面和荧光寿命，用红宝石激光泵浦时，获得了波长２．０１μｍ能量４０ｍＪ的激光脉冲。     

LiF晶体中F3^＋—F2混合色心激光器

本文报道了室温下LiF晶体中F_3~+-F_2混合色心激光器.利用一块晶体和单一泵光,输出激光波长范围从510～580nm、640～710nm.总带宽140nm.     

Tm∶YAG晶体的光谱及激光特性研究

测试了Ｔｍ∶ＹＡＧ晶体的室温吸收光谱和荧光光谱，计算了各吸收谱线的振子强度，并根据Ｊｕｄｄ－Ｏｆｅｌｔ理论计算了Ｔｍ∶ＹＡＧ晶体的荧光跃迁截面和荧光寿命。用红宝石激光泵浦时，获得了波长２．０１μｍ、能量４０ｍＪ的激光脉冲。     

Yb：YAG晶体的制备与光谱特性

用引上法生长Ｙｂ：ＹＡＧ晶体，确定了合适的退火工艺，研究了Ｙｂ：ＹＡＧ晶体中Ｙｂ＾３＋的光谱性能双及晶体缺陷对Ｙｂ＾２＋光谱性能的影响。     

An electron paramagnetic resonance study of LDPE irradiated with high-energy electron beam

Cross-linking of the polyethylene was performed with a high-energy electron beam. Electron paramagnetic resonance spectroscopy was used to study the lifetime of unpaired electron in the irradiated samples. Time-dependent electrical parameters are investigated for the cross-linked low-density polyethylene. Both dielectric constant and dielectric strength almost remained unchanged, but for short times, the volume resistivity and loss factor increased and decreased, respectively. It is predicted that for lifetime longer than 48 h, the electrical parameters were constant. It is believed that the variation of some electrical properties during time is due to the effects of trapped electrons.     

Optical absorption, EPR, infrared and Raman spectral studies of clinochlore mineral

Optical absorption, EPR, Infrared and Raman spectral studies have been carried out on natural clinochlore mineral. The optical absorption spectrum exhibits bands characteristic of Fe²⁺ and Fe³⁺ ions. A band observed in the NIR region is attributed to an intervalence charge transfer (Fe²⁺-Fe³⁺) band. The room temperature EPR spectrum of single crystal of clinochlore mineral reveals the dominance of Fe³⁺ ion exhibiting resonance signals at g=2.66; 3.68 and 4.31 besides one isotropic resonance signal at g=2.0. The EPR studies have been carried out for a polycrystalline sample in the temperature range from 103 to 443 K and for a single crystal of clinochlore mineral in the temperature range 123-297 K. The number of spins (N) participating in resonance at g=4.3 signal of the single crystal of clinochlore mineral has been calculated at different temperatures. The paramagnetic susceptibility (χ) is calculated from the EPR data at different temperatures for single crystal of clinochlore mineral. The Curie constant and Curie temperature values are evaluated from 1/χ versus T graph. The infrared spectral studies reveal the formation of Fe³⁺-OH complexes due to the presence of higher amount of iron in this mineral. The Raman spectrum exhibits bands characteristic of Si-O-Si stretching and Si-O bending modes.     

EPR, luminescence and IR studies of Mn activated ZnGa2O4 phosphor

Electron paramagnetic resonance (EPR), luminescence and infrared spectra of Mn²⁺ ions doped in zinc gallate (ZnGa₂O₄) powder phosphor have been studied. The EPR spectra have been recorded for zinc gallate phosphor doped with different concentrations of Mn²⁺ ions. The EPR spectra exhibit characteristic spectrum of Mn²⁺ ions (S=I=5/2) with a sextet hyperfine pattern, centered at g_eff=2.00. At higher concentrations of Mn²⁺ ions, the intensity of the resonance signals decreases. The number of spins participating in the resonance has been measured as a function of temperature and the activation energy (E_a) is calculated. The EPR spectra of ZnGa₂O₄: Mn²⁺ have been recorded at various temperatures. From the EPR data, the paramagnetic susceptibility (χ) at various temperatures, the Curie constant (C) and the Curie temperature (θ) have been evaluated. The emission spectrum of ZnGa₂O₄: Mn²⁺ (0.08 mol%) exhibits two bands centered at 468 and 502 nm. The band observed at 502 nm is attributed to ⁴T₁→⁶A₁ transition of Mn²⁺ ions. The band observed at 468 nm is attributed to the trap-state transitions. The excitation spectrum exhibits two bands centered at 228 and 280 nm. The strong band at 228 nm is attributed to host-lattice absorption and the weak band at 280 nm is attributed to the charge-transfer absorption or d⁵→d⁴s transition band. The observed bands in the FT-IR spectrum are assigned to the stretching vibrations of M-O groups at octahedral and tetrahedral sites.     

Synthesis, X-ray structure, EPR and optical properties of a ferrocene substituted polychlorotriphenylmethyl radical

The optical, magnetic and electrochemical properties of the octamethylferrocene aldehyde substituted polychlorotriphenylmethyl radical 1 are reported. Radical 1 is prepared in a three step synthetic route starting with a Wittig-Horner reaction to yield (E)-1-formyl-1′-{2-{4-[bis(2,3,4,5,6-pentachlorophenyl)methyl]-2,3,5,6-tetrachloro phenyl}ethen-1-yl}-2,2′,3,3′,4,4′,5,5′-octamethyl ferrocene (6), which is subsequently deprotonated to yield the corresponding anion 7 and finally oxidized to (E)-4-[2-(1′-formyl-2,2′,3,3′,4,4′,5,5′-octamethylferrocen)ethen-1-yl]-2,3,5,6-tetrachlorophenyl-bis(2,3,4,5,6-pentachlorophenyl)methyl radical (1). Radical 1 exhibits a charge-transfer band transition in the near infrared region which is associated with an intramolecular electron transfer from the ferrocene unit (donor) to the radical unit (acceptor) of this dyad molecule. The X-ray crystal structure of [K⁺(18-crown-6)] (E)-[4-[2-(1′-formyl-2,2′,3,3′,4,4′,5,5′-octamethylferrocen)ethen-1-yl]-2,3,5,6-tetrachlorophenyl-bis(2,3,4,5,6-pentachlorophenyl) methide] (7) has been determined. This organic salt shows an interesting one-dimensional polymeric structure formed by the coordination of the K⁺ cation with several atoms of the organic carbanion.     

Synthesis, crystal structure, Cu doped EPR and voltammetric studies of bis[N-(2-hydroxyethyl)ethylenediamine]zinc(II) squarate monohydrate

Crystal structure of [Zn(hydet-en)₂]·C₄O₄·H₂O (ZHES) (hydet-en is N-(2-hydroxyethyl)ethylenediamine) complex has been synthesized and characterized by analytical, spectroscopic (IR, UV/Vis) and voltammetric techniques. After doping Cu²⁺ ion, its magnetic environment has been identified by electron paramagnetic resonance (EPR) technique. The title complex crystalizes in monoclinic system with space group P2₁/c and with Z=4. Each hydet-en ligand acts as a tridentate ligand through the two N atoms and the hydroxyl O atom, resulting in a six coordinate Zn(II) ion. The EPR spectra were recorded in three perpendicular planes of Cu²⁺ doped ZHES single crystal. The calculated g and A values indicated that the paramagnetic center is rhombic symmetry with the Cu²⁺ ion having distorted octahedral environment. The molecular orbital bond coefficients of the Cu(II) ion in d⁹ state is also calculated by using EPR and optical absorption parameters. The dianion SQ²⁻ is oxidized reversibly in two consecutive steps to the corresponding radical monoanion and neutral form.     

Variable temperature EPR spectra of Copper (II) ions in kainite crystals

X-band electron paramagnetic resonance (EPR) studies on divalent copper ions embedded in KMgClSO₄·3H₂O single crystals have been performed at low temperature (123 K). The angular variation of the EPR spectra reveals the presence of two Cu²⁺ sites, which have different orientations. The spin-Hamiltonian parameters of this six-coordinated cupric ion have been evaluated from the EPR spectra at 123 K. The forbidden lines due to Δm_I=±1 transitions are observed in between allowed transitions. The temperature variation EPR studies have also been performed both for a single crystal and a polycrystalline sample. The ground state wavefunction of Cu²⁺ ions has been estimated and is found to be an admixture of d_3z²−r² and d_x²−y². The temperature variation of the EPR spectra reveals that Cu²⁺ ions exhibit dynamic Jahn-Teller effect. From the polycrystalline EPR data, the temperature dependent magnetic susceptibilities are evaluated and discussed.     

EPR study of Cu(II) dopant ions in single crystals of bis(l-asparaginato)Zn(II)

We report an electron paramagnetic resonance (EPR) study at 33.9 GHz and room temperature of oriented single crystal samples of bis(l-asparaginato)Zn(II) doped with Cu(II). The variation of the spectra with magnetic field orientation was measured in three crystal planes (a*b, bc and a*c, with a*=b×c). These spectra display two groups of four peaks arising from the hyperfine interaction with the I_Cu=3/2 nuclear spins of copper. They were assigned to Cu(II) ions in two lattice sites related by a 180° rotation around the b-crystal axis. The g and hyperfine coupling (A) tensors of the Cu(II) ions were evaluated from the single crystal data. Some indeterminacy in the assignment of the signals was avoided measuring the EPR spectrum of a powder sample. Their principal values are g₁=2.060(1), g₂=2.068(2), g₃=2.283(2), and A₁≈0.1×10⁻⁴, A₂=13×10⁻⁴ and A₃=165×10⁻⁴ cm⁻¹. The eigenvectors corresponding to g₃ and A₃ are coincident within the experimental error; the other eigenvectors are rotated 5.6° in the perpendicular plane. Considering the crystal structure of bis(l-asparaginato)Zn(II), our EPR results indicate that the Cu(II) impurities replace Zn(II) ions in the host crystal. We propose a molecular model based on the EPR data and the structural information, and analyse the results comparing the measured values with those obtained in similar systems.     

Antiferromagnetic resonance studies in molecular magnetic materials

EPR spectroscopy has become an increasingly powerful tool to examine the spin states and dynamics of single-molecule magnets, but has not been exploited to probe bulk magnetically ordered phases of molecular magnets. In this article, we review the EPR spectra of antiferromagnets and canted antiferromagnets below T_N with particular reference to our own studies on the canted antiferromagnet, p-NCC₆F₄CNSSN (T_N=36 K). The antiferromagnetic resonance experiment allows the saturation of the sublattice magnetisation to be probed. In addition, the exchange and anisotropy fields (H_e and H_a), the spin-flop field (H_sf) and for canted antiferromagnets, the Dzyaloshinskii-Moriya field (H_DM), which gives rise to the spontaneous moment, can be determined.     

Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H2O)6]3+coordination complex in the sulfate alums series: a ligand field theory study

A simple theoretical method is introduced for studying the interrelation between electronic and molecular structures.By diagonalizing the 120 × 120 complete energy matrices,the relationships between zero-field splitting(ZFS) parameter D and local distortion parameter △θ for Cr 3+ ions doped,separately,in α-and β-alums are investigated.Our results indicate that there exists an approximately linear relationship between D and △θ in a temperature range 4.2-297 K and the signs of D and △θ are opposite to each other.Moreover,in order to understand the contribution of spin-orbit coupling coefficient ζ to ZFS parameter D,the relation between D and ζ is also discussed.     

PEG化氘代单磷酸三苯甲基自由基的高效合成及性能研究（英文）

电子顺磁共振(EPR)波谱联用外源性自旋探针技术是测量体内外pH的有效手段.有研究表明,单磷酸取代三苯甲基(p1TAM)自由基是目前用于检测pH的最理想的EPR探针.然而,这类探针的合成产率低、易受蛋白影响,极大限制了其生物应用.针对上述问题,本文提出了高效合成p1TAM自由基的方法,使其总产率从文献报道的1.6%提高到了25%;同时采用PEG修饰的方法避免了白蛋白(BSA)对其产生的干扰.进一步氘代实验结果证实:非氘代PEG化(p1TAM-H)衍生物(POP)虽与氘代PEG化(p1TAM-D)衍生物(dPOP)具有相似的pH敏感性(其pKa分别为6.80和6.79),但POP的EPR谱图较为复杂,而dPOP无论在低pH还是在高pH条件下均具有简单的EPR双峰信号;而且,dPOP具有比POP和p1TAM-H更好的检测灵敏性;此外,dPOP还具有较好的生物稳定性和氧气敏感性.因此,dPOP能够用来同时检测pH和氧气,有望在生物医学方面得到更好的应用.