Effect of donor-acceptor interaction strength on excitation energy migration and diffusion at high donor concentrations

The migration and diffusion modulated excitation energy transfer has been studied in a new dye pair 7-diethylamino-4-methylcoumarin (donor) to 3,3'-dimethyloxacarbocyanine iodide (acceptor) by steady-state and picosecond time-resolved spectroscopy. To reduce the artifact of self-absorption, at high donor concentrations, the time-resolved studies have been carried out in thin films of polyvinyl alcohol (solid matrix) and in methanol (liquid phase) at front-face geometry of excitation. The Forster-type (nonradiative) energy transfer [Discuss. Faraday Soc. 27, 7 (1959)] takes place directly from donor to acceptor in case of solid matrix, while Yokota-Tanimoto model [J. Phys. Soc. Jpn. 22, 779 (1967)] for diffusion has been found to be operating in the liquid phase. It has been found here that the high interaction strength between donor and acceptor molecules as compared to that among donors masks the effect of energy migration and diffusion at high donor concentrations. The rate and efficiency of energy transfer increase with increasing the acceptor concentration. This has been confirmed by the study of acceptor kinetics.     

Gluing semigroups: when and how

Semigroup Forum - Given two semigroups $$\langle A\rangle$$ and $$\langle B\rangle$$ in $${\mathbb {N}}^n$$ , we wonder when they can be glued, i.e., when there exists a semigroup $$\langle...     

Ab-initio study of AlN in zinc-blende and rock-salt phases

Group III-nitrides are of great interest in both fundamental sciences and technical application. Most of the common nitrides are well known as hard and wide band gap semiconductor materials. In general they have been studied in zinc-blende and wurtzite phases. In this paper, we focus our attention to structural, electronic, phase transition and elastic properties of aluminum nitride (AlN) in zinc-blende and rock-salt phases. A little work has been reported either theoretically or experimentally on elastic and electronic properties of AlN; especially in RS phase. All the calculations are performed using the full-potential linearized augmented plane-wave approach plus local orbitals within the framework of density functional theory as implemented in the Wien2k code. The generalized gradient approximation based on the Perdew–Burke–Ernzerhof is used for the exchange and correlation functional. We determine the full set of first order elastic constants, C₁₁, C₁₂ and C₄₄ at zero pressure to confirm the mechanical stability and hardness, which have not been established either experimentally or theoretically for RS phase. In the study obvious phase transition from ZB phase to RS phase due to pressure effect has been obtained at 12.75 GPa.     

Vanishing pseudo–Schur complements,reverse order laws,absorption laws and inheritance properties

The problem of vanishing of a (generalized) Schur complement of a block matrix (corresponding to the leading principal subblock) implying that the other (generalized) Schur complement (corresponding to the trailing principal subblock) is zero, is revisited. Absorption laws for two important classes of generalized inverses are considered next. Inheritance properties of the generalized Schur complements in relation to the absorption laws are derived. Inheritance by the generalized principal pivot transform is also studied.     

Preparation of Inorganic Oxides via a Non-Hydrolytic Sol-Gel Route

Inorganic oxides have been synthesized successfully under mild reaction conditions using a solvent-free non-hydrolytic sol-gel process based on the condensation reaction of metal chlorides with oxygen donors such as alkoxides, aldehydes and ethers. Iron(III) chloride was found to be an effective catalyst for the reactions. The order of reactivity of the halides was generally titanium > aluminium > silicon, but in some cases reaction was halted by premature gelation of intermediate species. Silica, alumina and titania were all prepared and characterized by various methods. Calcination studies on the silicas showed these materials to be amorphous up to at least 700°C, but devitrification occurred at 1000°C. Crystallization was studied by X-ray powder diffraction.     

Theoretical investigation of ethylene/1-butene copolymerization process using constrained geometry catalyst (CpSiH2NH)-Ti-Cl2

The ethylene/1-butene copolymerization using constrained geometry catalyst CpSiH₂-NH-TiCl₂ (CGC) was investigated by the density functional theory and molecular dynamics. Structures and energetics of reactants, π-complexes, transition states, and products during insertion of ethylene and 1-butene monomers into the catalytic reactive site of the CGC were investigated by the density functional theory (DFT) using the software Dmol³, while dynamics of atoms during copolymerization process was investigated by classical molecular dynamics (MD) using the New-Ryudo-CR program. The calculated results were compared with the available experimental and theoretical ones. It was found that the ethylene insertion into Ti-Me active species is energetically more favorable than the butene one and the 2,1-butene insertion is more favorable than 1,2-butene one. Once the initial ethylene insertion has taken place, the further ethylene insertion occurring with a less energy barrier, in good agreement with experimental findings.     

Diffraction-induced spectral anomalies for information encoding and information hiding - Possibilities and limitations

It has been shown both theoretically and experimentally that drastic spectral changes take place around phase singularity and the shift in the spectral lines gives rise to the phenomenon called spectral switching. The shift of spectral lines towards the blue end or towards the red end of the spectrum might perhaps be used in free space communication applications. In more recent investigations, the possibility of information encoding with spectral anomalies have been discussed for two different optical systems. In this paper, we present schemes of information encoding and information hiding in the Airy pattern formed by diffraction of spatially coherent light after passing through a circular aperture. We propose a communication system that might be used to realize a new communication technique.     

Photomodulation of Lewis basicity in a pyridine-functionalized 1,2-dithienylcyclopentene

The ability of a pyridine ligand on the photoresponsive 1,2-dithienylethene backbone to coordinate to a ruthenium porphyrin is modulated by interconverting the compound between its electronically insulated ring-open and electronically connected ring-closed form.     

Volumetric method for the estimation of persulphate in aqueous solution

Summary A rapid volumetric method for the estimation of persulphate using the persulphate-thiosulphate reaction catalysed by cupric ions has been proposed. The method consists in adding a known excess of standardised sodium thiosulphate solution to the persulphate solution containing 5 ml of 0.01 M copper sulphate solution and after the completion of the reduction of persulphate, titrating the remaining sodium thiosulphate against a standard solution of iodine.

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Zusammenfassung Die durch Kupfer(II)-ionen katalysierte Reaktion zwischen Persulfat und Thiosulfat wird zur raschen, volumetrischen Persulfatbestimmung benutzt. Bei dem Verfahren gibt man zur Persulfatlösung, die 5 ml 0,01 m Kupfersulfatlösung enthält, einen Überschuß an Thiosulfatlösung und titriert nach Beendigung der Reaktion mit Jodlösung zurück.