Crystal Structure of Adduct 2-Phenyl-imidazo [ 4,5-f ] 1,10-phenanthroline Methanol

The structure of the title adduct comprises a phenanthroline derivative 2-phenyl-imidazo[4,5-f]1,10-phenanthroline and a methanol.The composition of the crystalline adduct was characterized as C19H12N4.CH3OH.It belongs to orthorhombic system,space group Pna21 with a=1.3693(4)nm,b=2.2988(7)nm,c=0.51338(15)nm,V=1.6160(8)nm^3.Z=4,and final R1=0.0423.wR2=0.1012 .Crystal structure shows that all the 19 carbon atoms and 4 nitrogen atoms are coplanar.The bond length data indicated that a very extensive conjugation system was formed.This conjugation makes the compound being a potentially excellent energy transformer used for luminescent materials.     

二(β-二酮)氧钒(Ⅳ)与含氮碱加合物的合成和表征

合成了一系列VO(β-dik)_2L类型加合物,其中β-dik分别为苯甲酰丙酮,2-噻吩甲酰三氟丙酮,L3-甲基吡啶、4-甲基吡啶、吗啉、异喹啉,VO(bza)_2Mor、VO(tta)_2Mor、VO(tta)_2iso-q为首次合成,并通过元素分析、摩尔电导、红外光谱、电子光谱、顺磁共振波谱等对加合物进行了较系统的表征工作。     

How can the Cross-Link Adducts Formed by Novel Trans Platinum Drug be Influenced by Hydrogen Bond

A systematic quantum chemical characterization of intrinsic structure, energies and spectral properties of all the studied cross-link adducts formed by the novel trans platinum with thiazole ligand has been carried out at B3LYP/6-31G^＊ level of theory with the Lanl2dz pseudo potential basis set for the Pt atom. Special attention has been paid to the relative stability of these complexes and the factors that probably alter the order of the relative stability. The important influence of hydrogen bond on the structures, the energies and the spectral property was revealed. Other factors that contribute to relative stability including solvation effect, entropy and electronic delocalization energy were taken into account. The stability energy of the whole complex, and the interaction energy between two purine bases and the [Pt-（NH3）thiazole]^2＋ group were adopted to study the interplay among subsystems and their contribution to relative stability of all the studied cross-link model. Finally, basic spectral properties of these complexes including H（8） chemical shifts of all the studied complexes and the VCD （vibrational circular dichroism） spectra of two pairs of GG chelate enantiomers, were provided in order to define the structure of the most possible duplex bearing novel trans platinum drug lesions.     

新的不对称双Schiff碱镍配合物

乙二胺中2个氨基具有相同的反应活性,易同时反应形成对称的双Schiff碱,随着不对称配合物的设计和金属酶模型化合物的不断开发,业已发现严格控制反应条件和改变反应物摩尔比,可以有效地实现单个氨基的选择性反应,例如,在低温、稀的反应液中,乙酰丙     

VO(PMBP)2·nL型加合物的合成和性质研究

本文合成了四个VO(PMBP)₂·nL型加合物,元素分析确定其组成为VO(PMBP)₂·2H₂O、VO(PMBP)₂·py、VO(PMBP)₂·β-MP·H₂O、VO(PMBP)₂·γ-MP,其中PMBP、py、β-MP、γ-MP分别为1-苯基-3-甲基-4-苯甲酰吡唑酮-5,吡啶,3-甲基吡啶、4-甲基吡啶.通过摩尔电导、差热热重分析、红外光谱、电子光谱、顺磁共振波谱等方法研究了加合物的性质.     

Ni[S2 P(OCH2 CH2 Ph)2]2·2Py的制备及结构表征

O,O’-二烃基二硫代磷酸根及其过渡金属配合物能阻止烃类自动氧化,广泛地用作润滑油的抗氧剂、燃油的添加剂、高分子材料的稳定剂和人造橡胶的硫化促进剂;在生物学上具有杀虫、抗菌、抗癌和抑制酶水解等特性[1-3]。[(RO)2PS2]nM用作润滑油抗氧剂时,为了有效地缩减氧化作用,一般     

钴希夫碱配合物及其分子氧加合物的合成与表征

以β-萘酚醛与一系列二胺缩合为配体,合成了钴的配合物。通过测定配合物在各种溶剂中吸收的氧气,得到了配合物与分子氧的摩尔比。并从各种溶剂中分离出了一系列2:1和1:1(Co/O_2)的分子氧加合物。对这些配合物和分子氧加合物进行了元素分析,红外、紫外一可见光谱和磁化率的表征,并研究了性质与结构的关系。     

12-钨磷酸希土盐DMF、DMSO加合物的合成、性质及其热分解动力学常数研究

合成了8种钨磷酸希土盐LnPW₁₂O₄₀·xH₂O(Ln=Y、La、Nd、Sm、Gd、Dy、Ho、Yb)的DMF、DMSO加合物,对加合物进行了组成分析,通过IR光谱、TG-DTA曲线对加合物进行了性质表征,并着重研究了加合物热分解过程的动力学,给出了热分解反应级数n和活化能E.