FT-IR study on solvent effects in building blocks of bioactive compounds. V

3-Hydroxy-4-hydroxymethyl pyrrolidin-2-ones, easily prepared from the Baylis–Hillman adduct 1-ethyl-4-methyl-2-hydroxy-3-methylenebutanedioate, are useful intermediates in the synthesis of bioactive compounds. In order to understand the mechanism involved in this reaction, vibrational and Montecarlo molecular mechanics conformational analysis on 1-ethyl-4-methyl-2-hydroxy-3-methylenebutanedioate were carried out, confirming the existence of a low energy intramolecular H-bonded five-member ring.     

Hydrothermal Synthesis and Structure of [Mn(C_8H_5NO_4)·H_2O]_n·2nH_2O

1 INTRODUCTION The self-assembly of organic-inorganic hybrid ma- terials is an intriguing area, which is yielding new generations of supramolecular architectures[1, 2]. Coor- dination by transition metals with multifunctional ligands is one of the main design principles. As a rigid multi-dentate ligand, 5-aminoisophthalic acid (AIP) has received considerable attention owing to the variety of bridging abilities[3~8]. It can engage in three types of intermolecular interactions: (1) M-L b…     

Photoluminescence linewidth broadening due to alloy/thickness fluctuation of CdxZn1 − xSe/ZnSe triple quantum wells

Photoluminescence (PL) linewidth broadening of Cd_xZn_{1 − x}Se/ZnSe triple quantum wells, grown on GaAs substrates by molecular beam epitaxy (MBE), has been investigated. Various quantum well (QW) samples have been prepared with different QW thickness and composition (Cd-composition). Measured and calculated PL linewidth are compared. Both composition and thickness fluctuations are considered for the calculation with the parameters such as the volume of exciton, nominal thickness and composition of QWs. Surface roughness measured by atomic force microscopy (AFM) is used to estimate the interface roughness. Results show that when Cd-composition increases additional linewidth broadening due to Zn/Cd interdiffusion is enhanced.     

Crystallographic report: Bis{[diacetyl‐bis(2,6‐isopropylphenylimine)]nickel(I)(µ‐chloro)}

The first α‐diimine nickel(I) complex having a chloro bridge is reported. The centrosymmetric dinuclear structure of {[ArN?C(Me)C(Me)?NAr]NiCl}₂[Ar?2,6?C₆H₃(i‐Pr)₂] features two chelating α‐diimine ligands and two bridged chlorine atoms, so that a distorted tetrahedral N₂Cl₂ coordination geometry for nickel results. Copyright © 2004 John Wiley & Sons, Ltd.     

Crystallographic report: A new polymorph for bis[bis(N,N‐dibenzyldithiocarbamato)cadmium(II)]

The title compound is a centrosymmetric dimer with each cadmium in a distorted CdS₅ square pyramidal geometry. The Cd–S bond distances range from 2.5626(11) to 2.8459(11) Å. Copyright © 2004 John Wiley & Sons, Ltd.     

Crystallographic report: catena‐Aqua(2,2′‐bipyrimidine)lithium(I) perchlorate

A lithium(I) coordination polymer has been formed from LiClO₄ and the 2,2′‐bipyrimidine (bpym) ligand in which each square pyramidal lithium(I) atom is coordinated in the basal plane by four nitrogen donor atoms derived from two bpym ligands and one water molecule at the apical position. These are connected into a layer structure via hydrogen‐bonding interactions involving the perchlorate anions. Copyright © 2004 John Wiley & Sons, Ltd.     

Synthesis and characterization of new bis(1-aryliminomethylenylnaphthalen-2-oxy)nickel complexes and their catalytic behavior for vinyl polymerization of norbornene

The synthesized 1-aryliminomethylenylnaphthalen-2-ol derivatives reacted with nickel chloride to form bis(1-aryliminomethylenylnaphthalen-2-oxy)nickel complexes. All resultant compounds were structurally characterized by elemental analyses, IR and H NMR, and the structures of the formed complexes were elucidated by X-ray crystal structure analysis. The complexes show high catalytic activities for the vinyl polymerization of norbornene in the presence of methylaluminoxane. The catalytic activity variations have been followed by gas chromatography through monitoring the conversion of norbornene.     

A New Two‐Dimensional Coordination Polymer of Mercury(II) with very High Thermal Stability

A 2D Hg^II coordination polymer containing ligands 1,2,4‐triazole (Htrz) and thiocyanate, [Hg(μ₃‐trz)(SCN)]_n ( 1 ) has been synthesized and characterized by elemental analysis and IR spectroscopy. The single‐crystal X‐ray data show the coordination number of Hg atoms is four and the ligand trz^? acts as a three‐fold donor. The thermal stability of compound 1 was studied by thermal gravimetric and differential thermal analyses. The composition and formation of the complex in methanol solution were found to be in support of its solid state structure.     

类铍离子低激发态等电子系列的能量、精细结构和超精细结构

采用多组态相互作用方法及Rayleigh-Ritz 变分方法，并考虑相对论修正和质量极化效应，获得了类铍离子等电子系列（Z=4-10）低激发态1s²2p2p ¹D^e和1s²2p3p ³P^e的相对论能量。同时还计算了精细结构和超精细结构。计算结果与其他理论和实验符合的很好。     

Synthesis and Crystal Structure of a Novel Organic Adduct Nonlinear Optical Material: 3,5-Dinitrobenzonic Acid·ethanolamine (3,5-DNBEA)

The title compound (C2H7NO·C7H4N2O6) has been obtained by the reaction of etha- nolamine with 3,5-dinitrobenzoic acid in deionized water at room temperature. The crystal crystal- lizes in orthorhombic, space group P212121 with a = 6.048(2), b = 9.146(3), c = 21.955(7)(A), C9H11N3O7, Mr = 273.21, Z = 4, V = 1214.3(7)(A)3, Dc = 1.494 g/cm3, F(000) = 568, μ(MoKα) = 0.131 mm-1, R1 = 0.0338 and wR2 = 0.0497. The new organic adduct is composed of one ethanolamine and one 3,5-dinitrobenzoic acid, which are linked up by O-H…O and N-H…O types of hydrogen bonds to form a nine-membered ring and an eleven-membered ring, extending into a one-dimensional network structure.