吡喃酮类化合物与镱配合物的红外和拉曼光谱研究

采用非水体系中牺牲金属阳极的电化学方法分别合成了稀土金属镱与 3 羟基黄酮及 3 羟基 2 甲基 γ 吡喃酮的配合物。对配合物进行了IR和Raman光谱测定。两种光谱提供了互为补充的信息 ,配体经配位后—OH的伸缩振动谱峰消失 ,部分相关的谱峰频率发生了明显位移 ,特别是羰基伸缩振动红移十分明显 ,在Raman光谱的低波数区间检测到可指认为金属和配体键合的伸缩振动。根据这两种光谱的研究结果推断了所得配合物的可能结构。     

三硼酸铯和硼酸铯锂晶体的晶格振动光谱研究

本文对新型非线性光学晶体三硼酸铯（ＣｓＢ３Ｏ５∶ＣＢＯ）和硼酸铯锂（ＣｓＬｉＢ６Ｏ１０∶ＣＬＢＯ）进行了晶格振动光谱研究。首先对两种晶体的基本晶格振动模进行了对称性分类,记录了两种晶体低温下的拉曼光谱和室温下的红外反射光谱,对晶体的晶格振动模进行了认定,将振动模归属于平面六元环（Ｂ３Ｏ６）和四面体（ＢＯ４）。然后比较了ＣＢＯ,ＣＬＢＯ和ＬＢＯ（ＬｉＢ３Ｏ５）三种晶体的晶格振动光谱,讨论了阳离子对振动光谱的影响。另外,还讨论了硼酸盐晶体晶格振动模ＬＯ ＴＯ分裂的大小与晶体非线性光学系数之间的关系。     

苯并三唑表面配位化学的电化学现场拉曼光谱研究

用电化学现场表面增强拉曼光谱(SERS)研究了非水体系中苯并三唑(BTAH)在银电极表面的吸附及成膜行为,结果表明非水体系中BTAH的吸附行为随电位变化而不同。较负区间主要以中性分子形式吸附;中间电位区间主要以BTA-吸附并不可逆成膜。采用直接电化学合成技术模拟电极表面过程制备了苯并三唑与Cu, Ag, Fe, Ni和Zn等金属的配合物,并研究了中性配体三苯基膦(pph₃)对其配位过程的影响,所得产物的元素分析以及拉曼光谱研究表明pph₃的加入影响了Cu和Ag与BTAH的配位过程,并出现在最终产物中,而对BTAH与Ni, Fe和Zn的配位过程未产生影响,产物未出现pph₃。     

木糖醇的红外光谱和拉曼光谱研究

实验测量了木糖醇的拉曼光谱和红外光谱,在相关文献的帮助下,对其谱带进行了初步指认。在拉曼光谱中,1000cm-1～1110cm-1之间的中等强度振动属于C-O伸缩振动和H-C-O弯曲振动。850cm-1到920cm-1之间的振动属于C-C伸缩振动。羟基面内弯曲振动在红外吸收光谱中出现在1300～1500cm-1,O-H的变形振动δO-H出现在1420～1380cm-1。     

右旋甲基苯丙胺振动光谱的理论和实验研究

利用激光共焦显微拉曼光谱技术和显微红外技术采集了右旋甲基苯丙胺的拉曼光谱和红外光谱,用密度泛函理论B3LYP/6-311G++(d,p)基组对分子进行几何构型优化,并进行拉曼和红外光谱的计算。结果表明:右旋甲基苯丙胺的拉曼光谱和红外光谱的计算结果和实验结果基本一致。在此基础上,用Gaussview软件对分子的振动模式进行了详细的归属。研究结果为今后右旋甲基苯丙胺的光谱分析提供了理论依据,也为苯丙胺类毒品的光谱分析研究提供了重要参考。     

苯海拉明的拉曼光谱和红外光谱研究

测量并分析了盐酸苯海拉明的红外光谱和拉曼光谱。在Raman光谱中, 1001 cm-1出现一个极强峰, 在1030 cm-1和618 cm-1各有一个中等峰,此外,在红外光谱中, 714 cm-1和757 cm-1附近出现极强的吸收峰,认定这个化合物中存在单取代苯。C-N的对称伸缩振动出现在837 cm-1, 1433 cm-1和1470 cm-1分别为CH2和CH3的变形振动, 在红外光谱中, 1020 cm-1处明显的吸收峰属于C-O-C反对称伸缩振动。此外, 测量得到含量为25 mg苯海拉明药片的拉曼光谱与纯苯海拉明的拉曼峰比较一致, 可作为无损快速检测该药物的手段。     

Vibrational Spectroscopic Studies of 3,4-Lutidine Metal (II) Tetracyanonickelate Complexes

Infrared and Raman spectra of seven new metal (II) 3,4-lutidine tetracyanonickelate complexes, M(3,4 L)₂ Ni(CN)₄ [where 3,4 L = 3,4 - dimethyl-pyridine or 3,4-lutidine; M = Mn, Fe, Co, Zn, Ni, Cu or Cd] (abbreviated to M - Ni - 3,4 L) have been investigated. Spectroscopic and magnetic susceptibility measurements indicate that the compounds have the structure of Hofmann-type complexes. The copper complex has spectral features different from the other compounds.     

The Vibrational Spectra of Complexes with Planar Monothiooxamides. III. The Palladium(II) Complexes of Neutral Monothiooxamides

The new complexes trans-[PdX₂(H₄MTO)2] (X = Cl, Br, I), trans-[PdX₂(H₃MMTO)2] (X = Cl, Br, I), trans-[PdX₂(SH₃)2] (X = Cl, Br), [Pd(H₄MTO)₄]CI₂ and [Pd(H₃MMTO)₄]CI₂, where H₄MTO = monothiooxamide, H₃MMTO = N(o)-methylmonothiooxamide and SH₃ = N(s)-methylmonothiooxamide, have been prepared. The complexes were characterized by elemental analyses, conductivity measurements, X-ray powder patterns, thermal methods and spectroscopic (UV/VIS, FT-IR, Laser-Raman) studies. The vibrational analysis of the complexes is given using NH/ND and CH₃/CD₃ isotopic substitutions. Monomeric square planar structures are assigned for the complexes in the solid state. The neutral monothiooxamides behave as monodentate ligands coordinating through their thioamide sulfur atom. The complex [Pd(SH2)2] was isolated during the thermal decomposition of trans-[PdCl₂(SH₃)₂].     

Vibrational spectra of barium oxalate hemihydrate

The infrared and Raman spectra of barium oxalate hemihydrate, BaC₂O₄ · 0.5H₂O, were recorded and discussed on the basis of their structural peculiarities and in comparison with the spectra of the previously investigated calcium and strontium oxalates.     

The Vibrational Spectra of Complexes with Planar Monothiooxamides. IV. The Copper(II) and Copper(I) Complexes of Neutral Monothiooxamides

The new complexes CuX₂(LH₂), CuX₂ (SH₃) (X = Cl, Br), CuX(LH₂), CuX(SH₃) (X = Cl, Br, I), CuX(H₄MTO)₂ (X = Cl, Br), Cul(H₄MTO) and CuX(H₃MMTO)₂ (X = Cl, Br, I), where LH₂ = N.N′-dimethyl-monothiooxamide, SH₃ = N(s)-methylmonothiooxamide, H₄MTO = monothiooxamide and H₃MMTO = N_(o)-methylmonothiooxamide, have been prepared. The complexes were characterized by elemental analyses, conductivity measurements, magnetic moments and spectroscopic (UV/VIS, FT-IR, Laser-Raman) studies. The vibrational analysis of the complexes has been given using NH/ND, CH₃/CD₃ and ⁶³cu/⁶⁵cu isotopic substitutions. The neutral monothiooxamides behave as monodentate ligands in the Cu(I) complexes coordinating through their thioamide sulfur atom. The ligands LH2 and SH₃ act as bidentate chelating agents in the Cu(II) complexes with ligated atoms being the thioamide sulfur and the amide oxygen.     

Infrared Spectra of Barbiturate Complexes

The assignment and shifts of the carbonyl stretching frequencies in the infrared spectra of the complexes of general formula [M(barb)₂L₂] (M = Ni, Cu, Zn; barb = 5,5-disubstituted-barbiturate, L = pyridine (py), β-picoline (β-pic), imidazol (imid))are discussed in relation to their known crystal structures.     

白云鄂博天然钕独居石的振动光谱研究(英文)

Raman, infrared and energy dispersive X-ray spectra of monazites have been measured and discussed. The result shows that the mineral is enriched in cerium, lanthanum,neodymium and praseodymium (Ce＞La＞Nd＞Pr)， The monazites have marked spectral characteristics, especially their v1, V3 Raman bands and v1, v4 infrared absorption bands. The characteristics can distinguish between monazite and other phosphate minerals. In addition, based on EDS and infrared absorption spectra, a small amount of fluoro-carbonate is found in the monazites.     

LAP及DLAP单晶的晶格振动光谱

本文对新型有机光学非线性晶体LAP的晶格振动进行了群论分析.并记录了各种几何配置下LAP单晶及其氘化物DLAP单晶在50～3700cm~(-1)范围的偏振喇曼光谱及偏振红外反射光谱.对谱图进行了识别.对LAP和DLAP单晶中NH_3~+,PO_4~(3-),COO~-基团的内振动进行了比较.实验结果表明DLAP单晶和LAP单晶具有相同的对称性.氘化使晶体的通光范围向红外方向扩展.     

Lattice dynamics of tetragonal Nd2BaZnO5

A short‐range force constant model (SRFCM) has been applied to investigate the Raman and the infrared wavenumbers in Nd₂BaZnO₅ in its tetragonal phase of space group I4/mcm. Calculations of zone‐center phonons are made with five stretching and five bending force constants. All the Raman and infrared values are then assigned to their corresponding modes. Two Raman modes are reassigned on the basis of group theoretical calculations. The calculated Raman wavenumbers exhibit good agreement with the observed values. Copyright © 2007 John Wiley & Sons, Ltd.     

Vibrational spectra of lead(II) oxalate

The infrared and Raman spectra of anhydrous lead oxalate (PbC₂O₄) were recorded and discussed on the basis of its structural peculiarities. Some comparisons with other previously investigated metallic oxalates were made. Copyright © 2009 John Wiley & Sons, Ltd.