Schiff碱水杨醛苯甲酰腙钴(Ⅱ)和锌(Ⅱ)络合物的红外光谱

水杨醛苯甲酰腙钴 ( )络合物在固态的红外光谱分析表明 ,p H约 5— 6时 ,生成的络合物Co( ) (SBH)中的酚羟基脱质子 ,当 p H控制在 8— 10时 ,生成的络合物 Co( ) (SBH) 2 酚羟基质子化 ,即酚羟基未脱除质子 ,与络合物 Zn( ) (SBH) 2 的 IR结果相同。在络合物 Zn( ) (SBH) 2 和Co( ) (SBH) 2 的生成反应中 ,亚氨基 (—NH— ) 15 40及 314 8cm-1的特征振动峰近乎消失表明 ,与亚氨基(— NH— )氮相连接的质子几乎失去。羰基 C O谱带剧烈红移表明羰基氧破裂并分别与 Zn( )和Co( )金属离子相结合     

新试剂3，5－二溴水杨醛苯甲酰腙（DBSBH）与镓配合物的光度法研究

本文用光度法研究了新试剂３，５－二溴水杨醛苯甲酰腙与镓所生成的配合物。选择了最适的萃取条件，用平衡移动法测定了其配合物的组成，即Ｇａ３＋：ＤＢＳＢＨ：ＣｌＯ４＝１：２：１，计算了萃取常数Ｋｅｘ＝１．２６×１０－５，并确定了符合比耳定律的浓度范围。可考虑该试剂作为测定Ｇａ３＋的显色剂。     

水杨醛水杨酰腙荧光分光光度法测定铍的研究

研究了水杨醛不杨酰腙与荧光反应的最佳条件,确定在ｐＨ５．２醋酸－醋酸钠缓冲溶液中形成荧光配合物λｅｘ／λｅｍ＝３７０／４５０ｎｍ,建立了新的荧光测定铍的方法。本测定方法的线性范围为０－１８０ｐｐｂ,检出国３．２ｐｐｂ,相对标准偏差为３．２９％,考察了３０余种共存组分的干扰情况,应用地于矿泉水及硫酸钡样品中痕量铍的测定,结果令人满意。     

二正丁基锡三齿酰腙Schiff碱配合物的合成和红外光谱研究

合成了 4种三齿酰腙Schiff碱配体H2 L [H2 L1 :C6 H5C(O)NHN =CHC6 H4OH 2 ,H2 L2 :C6 H5C(O)NHN =CHC6 H3(OH) 2 2 ,4,H2 L3:NC5H4C(O)NHN =CHC6 H4OH 2 ,H2 L4:NC5H4C(O)NHN =CHC6 H3(OH) 2 2 ,4]和它们的二正丁基锡新型配合物 (n Bu) 2 SnL ,通过元素分析确定了这些配合物的组成 ,并对配合物在 4 0 0 0～ 40 0cm- 1范围内的主要红外光谱吸收峰进行了归属和讨论 ,推测出配合物可能的分子结构。     

双水杨醛草酰二腙的合成及其用于检测锌的研究

合成了新化合物双水杨醛草酰二腙,根据元素分析及红外光谱确定了其结构,研究了该化合物与锌离子在溶液中的荧光反应.结果表明,以乙醇为溶剂,酸度为7.00时,该化合物与锌离子生成配合物的荧光强度最强.体系的荧光强度与锌离子的浓度在0～65.0μg·L-1的范围内呈良好的线性关系,检测下限达0.3μg·L-1.通过对16种常见离子在该体系中的干扰的实验研究,证明双水杨醛草酰二腙对锌离子有良好的选择性.对含锌营养食盐及人发中的锌进行了测定,结果满意.     

4-苯偶氮水杨醛腙类试剂的合成及其光谱研究

用苯胺与水杨醛反应合成了4-苯偶氮水杨醛,用苯甲酸乙酯、对羟基苯甲酸甲酯与水合肼反应,合成了苯甲酰肼、对羟基苯甲酰肼,然后用4-苯偶氮水杨醛与苯甲酰肼、对羟基苯甲酰肼、苯肼、异烟肼反应,合成了四种新的4-苯偶氮水杨醛腙类试剂。研究了这四种腙类试剂的红外光谱、紫外光谱、荧光光谱特性。     

对-二甲氨基苯甲醛苯甲酰腙及其锌(Ⅱ)、镉(Ⅱ)配合物的合成与光学性质

合成了对-二甲氨基苯甲醛苯甲酰腙(配体)及其锌(Ⅱ)、镉(Ⅱ)配合物,通过元素分析、IR、MS对结构进行表征,研究了配体及锌(Ⅱ)、镉(Ⅱ)配合物的紫外光谱和荧光光谱。这些物质都有较强的荧光,适合掺入涂料中做成荧光涂料。     

苯甲酰水杨酸铽的合成与发光特性研究

合成了一类以苯甲酰水杨酸(Benzoyl Salicylic Acid,BSA)为配体的稀土铽配合物,将导电高分子材料PVK引入到配合物中,制成了结构为ITO／PVK：Tb(BSA)4／LiF／Al的电致发光器件。并对该配合物的吸收特性及电致发光和光致发光性能进行了研究,实验数据表明,在PVK与Tb(BSA)4之间存在着能量传递,在电致发光中,PVK的发光完全被抑制,这与光致发光的表现不同,这是由于两种发光(光致和电致)机理不同造成的。章同时比较了几种不同PVK掺杂浓度对于器件性能的影响。     

一种新型酰腙配体及其Sn配合物的荧光特性研究

用稳态荧光和时间分辨荧光研究了一种新型酰腙配体2-羟基甲醛-5-氯水杨酰腙(H3L)及Sn配合物(n-Bu2)Sn(HL)晶体、溶液和旋涂膜的光谱特性与分子结构的关系。实验结果表明,对H3L而言,与其稀溶液相比,晶体及旋涂膜的荧光强度依次增强,荧光峰位都有所红移,荧光寿命有所延长,其单分子跃迁能为240.2kJ.mol-1;对[(n-Bu2)Sn(HL)]而言,其晶体稳态荧光强度比在溶液中强且荧光峰位红移,旋涂膜产生了荧光猝灭,单分子跃迁能为230.4kJ.mol-1;与H3L相比较,(n-Bu2)Sn(HL)晶体的荧光强度要强接近4倍,荧光寿命变长。这些现象的物理机制是分子的共轭体系越大、分子的刚性越大其荧光强度越强,荧光寿命越长。     

IR Studies of Iron Complexes with Pyridoxal Isonicotinoyl Hydrazone and Three Other Similar Chelating Agents

Infrared studies of pyridoxal isonicotinoyl hydrazone and of three similar chelating agents in solid state brings out, after complexation with iron (III), the deprotonation of phenol for all the compounds; for those which possess the pyridoxal group, a deprotonation of hydrazine leads to a transformation of the linkage between the rings and for the others, the drastic shift of the carbonyl band proves its engagement in the association with iron.     

邻氯苯甲酰肼缩水杨醛Schiff碱及其配合物的合成与表征

合成了邻氯苯甲酰肼缩水杨醛及Zn()、Co()、Ni()配合物,通过元素分析、红外光谱、紫外光谱、核磁共振氢谱对化合物进行了表征,用X射线单晶衍射测定邻氯苯甲酰肼缩水杨醛的晶体结构。     

Fluorescence and Biological Evaluation of the La(III) and Eu(III) Complexes with 7-methoxychromone-3-carbaldehyde Benzoyl Hydrazone Schiff Base

A novel Schiff base ligand (L = 7-methoxychromone-3-carbaldehyde benzoyl hydrazone) and its La(III) and Eu(III) complexes have been successfully prepared. The crystal structure of [LaL(2)(NO(3))(3)].H(2)O was characterized by X-ray crystallography. It crystallizes in monoclinic, space group C2/c with crystallographic data: a = 27.7173(17) A, b = 10.0002(6) A, c = 14.7884(9) A, beta = 102.6870(10) degrees and Z = 4. In the structure, the La(III) ion satisfies 12 coordination and three nitrate coordinate as bidentate ligand. The biological experiments show that the ligand and its two complexes can strongly bind to DNA through intercalation mode, and the three compounds also exhibit good antioxidant activities against OH(*) and O(2) (-*). Moreover, it is found that the Eu(III) complex exhibits characteristic fluorescence of europium ion in different organic solvent.     

一种对羟基苯甲醛希夫碱的红外光谱及核磁共振理论研究

采用Gaussian03软件,用密度泛函理论的B3LYP方法在6-31G基组水平上优化了对羟基苯甲醛缩2,4-二硝基苯胺希夫碱,得到其最稳定构型及其能量。在优化结构基础上用Hartree-Fock(HF)/6-31G方法计算了该分子的红外光谱振动频率并绘制了红外光谱图,对图中各峰位进行了分析探讨。用同样的方法计算了该化合物分子的核磁共振氢谱。     

Measurements of positions, strengths and self-broadened widths of H2O from 2900 to 8000 cm: line strength analysis of the 2nd triad bands

High-resolution spectra of H₂O were recorded with a Fourier-transform spectrometer covering H₂O transitions from 2900 to 8000 cm⁻¹. Over 13,000 absorptions were measured to determine line positions, strengths and self-broadened half-width coefficients. The H₂ ¹⁶O line strengths of the (0 3 0)-(0 1 0), (1 1 0)-(0 1 0), (0 1 1)-(0 1 0) and (0 3 0)-(0 0 0), (1 1 0)-(0 0 0), (0 1 1)-(0 0 0) bands were fitted to a quantum mechanical model which involves the interactions between the (0 3 0), (1 1 0), and (0 1 1) vibrational states. Also fitted were experimental strengths of the hot bands; (1 2 0)-(0 1 0) and (0 2 1)-(0 1 0). The model includes 14 dipole matrix elements for B- and A-type transitions. The measured line positions were used along with hot water emission measurements (for the (0 3 0), (0 4 0), and (0 5 0) states of H₂ ¹⁶O) in an analysis to obtain high-accuracy energy level values in the (0 3 0), (1 1 0), (0 1 1), (0 4 0), (1 2 0), (0 2 1), (2 0 0), (1 0 1), (0 0 2), and (0 5 0) vibrational states of H₂ ¹⁶O and the (1 1 0) and (0 1 1) states of H₂ ¹⁷O. Also included were measurements and analysis of self-broadened half-widths for over 4700 absorptions between 4405 and 7729 cm⁻¹. The results from this investigation provide new information for the noted H₂ ¹⁷O bands and present a more accurate representation of the measured H₂ ¹⁶O bands.     

Hydrogen Bonding Between Substituted Phenols and CH3COOCH3 or CH2CICOOCH3: An FTIR Spectroscopic Study

The hydrogen bonded complexes between phenol derivatives and methyl acetate and methyl chloroacetate were studied in carbon tetrachloride solution by FTIR spectroscopy. Temperature variation studies were used to evaluate both formation constants and the enthalpies of complex formation. It is shown that the relative values of enthalpies associated with the hydrogen bonding process in the various studied systems depend mainly on the electron releasing ability of the phenol substituents as well as on the polarization state of the carbonyl bond of the ester. In addition, it is also shown that the observed shifts in the carbonyl stretching frequency upon complexation can be correlated with ΔH, thus providing a useful indirect way of measuring the strength of the hydrogen bond.     

检测活性氧的荧光探针新进展

活性氧对于人体是十分重要的。然而,过量的活性氧是相当有害的,它们会对人体产生氧化损伤,导致细胞死亡。活性氧现在已经引起了化学、生物、医药等多个领域学者的浓厚兴趣,它们被认为和多种病理条件有密切的联系。由于活性氧寿命短、反应活性高,并且大部分都存在于体内很难被捕获,因此它们的分析测定是一项国际性难题。荧光探针作为活性氧的高灵敏的检测分析物,已经得到越来越广泛和深入的研究。由于每一种活性氧都有它独特的生理学活性,因此设计高选择性的,能够检测具体一种活性氧的荧光探针分子就显得十分重要。本文主要对近三年来检测单线态氧、过氧化氢、超氧阴离子和羟自由基这四种活性氧的荧光探针的研究进展进行综述,关注这类荧光探针的检测机理以及具体应用。     

计算中低能量电子与水分子弹性散射微分截面

运用耦合通道光学势方法计算了在中低能量下的电子与水分子碰撞弹性散射微分截面,其中靶的极化效应被包含在一个从头算的等价局域势中.随后将计算结果与实验值和其它理论计算结果进行了比较.结果显示这种计算方法对于电子与极化分子体系碰撞是非常适用的.     

Measurement of the fragmentation of Carbon nuclei used in hadron-therapy

The increasing use of Carbon nuclei in cancer therapy centres is motivated by their potential advantages as a very precise high LET radiation. The knowledge of the fragmentation of Carbon nuclei when they interact with the human body is important to evaluate the spatial profile of their energy deposition in the tissues, hence the damage to the tissues neighbouring the tumour. We report here a study of the fragmentation with the nuclear emulsion experimental technique. We have designed, built and exposed to a Carbon nuclei beam a chamber made of Lexan plates alternated with nuclear emulsion films. Lexan plates acted as passive material simulating human body tissues while nuclear emulsion films were used as both tracking devices with micrometric accuracy and ionisation detectors. Such a detector allowed the detection of Carbon interactions produced along their path, the identification of the fragments produced and the measurement of their scattering angle. We have measured the Carbon ion survival probability and studied their interactions. We report on the secondary particle multiplicity and the electrical charge distribution. We give results of the scattering angle of final state fragments as well as the range for H and He. Finally we give the total and partial charge-changing cross-sections for Δz=1,2,3,4$\mathrm{\Delta }z=1,2,3,4$ which are compared with previous results when available. The present work aims at providing data required as input to Monte Carlo simulations of Carbon ion interactions in the human body and ultimately of their therapeutic effectiveness.