Hydrogen bonding between solvation shells around gd3+ from cooperative vibronic spectra

Cooperative vibronic spectra involving Gd³⁺ electronic transitions and the vibrational transitions of nearby water molecules are used to determine the stretching spectrum for isotopically dilute OH in a solution of GdCl₃ in D₂O. The OH stretching spectrum of water molecules in the first hydration sphere is shifted to lower energy than that of the bulk liquid.     

Solubilities,thermostabilities and flame retardance behaviour of phosphorus-containing flame retardants and copolymers

Thirteen phosphorus-containing flame retardants were synthesized in this work. The solubilities of flame retardant [(6-oxide-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)-methyl]-butanedioic acid (DDP) in selected solvents are measured. TGA measurements of the 13 phosphorus-containing flame retardants were carried out and thermal stabilities of three flame-resistant PET (FRPET) resins were investigated. A FRPET incorporated by DDP with terephthalic acid and ethylene glycol reported in literature was also discussed and compared. The thermal stability of the FRPET is improved by the incorporation of phosphorus-containing flame retardants. The LOI values of all phosphorus-containing polyesters are higher than 27%. The improvement of the flame-resistant ability is due to the formation of the char that is not only caused by the existence of phosphorus elements in the resin but also by the relative large number of carbon atoms of the phenyl group in the flame retardants.     

Geometries and electronic structures of W4 and W clusters

Geometries and electronic structures of W₄ and W clusters were studied by use of density functional methods B3LYP, B3P86, B3PW91, BHLYP, BLYP, and MPW1PW91. The calculated results indicate that the three‐dimensional structure of singlet state with either D_2d symmetry (B3LYP, B3P86, B3PW91, BLYP, and MPW1PW91) or C_2v symmetry (BHLYP) is the ground state for the W₄ cluster. For the W cluster, the doublet state is preferred, and the most stable structure is also 3D with either D_2d symmetry (B3LYP, B3PW91, BHLYP, BLYP) or C_2v symmetry (B3P86 and MPW1PW91). The calculated electron affinity at B3P86 gives the best performance compared with experiment. For the dissociation channel, W + W₃ is suggested to be the possible route for the W₄ cluster. For the W cluster, W + W is the most likely route for dissociation, in agreement with experiment. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005     

双核银络合物[Ag_2(dppm)_2(Py)_2(μ-Cl)]ClO_4的合成与结构

二-(二苯基膦)甲烷(dppm)是一种易与金属形成多核络合物的有机膦配体。我们用dppm作为配体合成了一系列银的多核络合物,并对其结构进行了研究。本文报导了其中一个双核化合物[Ag_2(dppm)_2(Py)_2(μ-Cl)]ClO_4的合成及晶体结构、分子结构的测定。     

在线标准加入火焰原子吸收光谱法测定钮扣电池中铅和镉

应用火焰原子吸收光谱(FAAS)法测定了钮扣电池中铅和镉的含量,对测定条件作了较详细的研究。用在线双毛细管标准加入法消除了基体的干扰。按所述方法测定电池样品中铅和镉,测定结果的RSD依次为3.58%和5.87%,铅和镉的浓度水平分别为5.4×10-3%和2.3×10-4%(质量分数),回收率结果为93.0%~100.1%(铅)和95.0%~101.0%(镉)。     

Selectivity enhancement of a metal-sensitive flame ionization detector for capillary gas chromatography

A novel modification of a hydrogen-atmosphere flamo ionization detector (HAFID) is presented which attenuates response to hydrocarbon compounds, significantly enhancing selectivity towards organometallic compounds by more than an order of magnitude. Chromatograms of an organometallic compound test mixture and regular leaded gasoline are presented to depict the specificity of the response.     

The use of TG-FTIR technique for the assessment of hydrogen bromide emissions in the combustion of BFRs

The TG-FTIR technique was used in the present study to investigate the thermal degradation behaviour of materials containing brominated flame retardants under fire conditions. Time-temperature profiles and oxygen concentrations typical of selected fire scenarios were reproduced in the thermogravimetric analyzer, while the characterization of the gaseous products generated was performed by the simultaneous FTIR analysis. FTIR analysis combined with the use of specific calibration procedures allowed the quantitative estimation of the gaseous products evolved as a function of experimental conditions. The results obtained allowed the straightforward assessment and the comparison of the quantities of hydrogen bromide formed in the oxidation and thermal degradation of pure brominated flame retardants and of flame retarded materials of industrial interest. Hydrogen bromide yields resulted dependent on the experimental conditions used, such as oxygen concentration and heating rate. Although TG-FTIR experiments only provide a representation of the actual heterogeneous combustion products in real fire conditions, the coupled TG-FTIR technique proved to be a straightforward experimental methodology allowing one to obtain reference data on the nature and quantities of the macropollutants generated in a fire. This revised version was published online in July 2006 with corrections to the Cover Date.     

Free differential algebras: Their use in field theory and dual formulation

The gauging of free differential algebras (FDA's) produces gauge field theories containing antisymmetric tensors. The FDA's extend the Cartan-Maurer equations of ordinary Lie algebras by incorporating p-form potentials (p>1). We study here the algebra of FDA transformations. To every p-form in the FDA, we associate an extended Lie derivative l generating a corresponding gauge transformation. The field theory based on the FDA is invariant under these new transformations. This gives geometrical meaning to the antisymmetric tensors. The algebra of Lie derivatives is shown to close and provides the dual formulation of FDA's.     

Inhomogeneous quantum groups and their quantized universal enveloping algebras

The quantum group IGL _q (N), the inhomogenization of GL _q (N), is formulated with -matrices. Theq-deformed universal enveloping algebra is constructed as the algebra of regular functionals in this formulation and contains the partial derivatives of the covariant differential calculus on the quantum space.     

A borel-weil-bott approach to representations of sl q (2, ℂ)

We use a quite concrete and simple realization of sl _q (2, ) involving finite difference operators. We interpret them as derivations (in the noncommutative sense) on a suitable graded algebra, which gives rise to the noncommutative scheme ¹ II ^1* as the counterpart of the standard ¹ = Sl(2, )/B.