Interaction of the excited singlet state of 1,4- and 1,8-dimethoxynaphthalene with some organic compounds: A fluorescence-quenching study

Summary The fluoroescence quenching of 1,4-dimethoxynaphthalene (1) and 1,8-dimethoxynaphthalene (2) by tetraphenylporpyrin (3), 9,10-diphenylanthracene (4), and 3-cyano-4-phenyl-6-(p-tolyl)-pyridin-2-one (5) has been studied in chloroform solution. The quenching occursvia a resonance energy transfer mechanism. The rate constant for the energy transfer (k _ET) of donor2 is slower than that of1 by the same acceptors, indicating that the steric effect dominates the ionization potential effect in all systems. The calculated critical transfer distances (R ₀) are 17–72 Å. In contrast, charge transfer is the predominant pathway of electronic deexcitation in the fluorescence quenching of donors1 and2 by 7,7,8,8-tetracyanoquinone-dimethane (6) in chloroform. The roles of temperature and geometrical structure of the donors on the efficiency of fluorescence quenching of1 and2 by acceptor6 have also been studied.

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Wechselwirkung des angeregten Singlett-Zustands von 1,4- und 1,8-Dimethoxynaphthalin mit einigen organischen Verbindungen: eine Untersuchung zur Fluoreszenzlöschung

Zusammenfassung Die Löschung der Fluoreszenz von 1,4-Dimethoxynaphthalin (1) und 1,8-Dimethoxynaphthalin (2) durch Tetraphenylporphyrin (3), 9,10-Diphenylanthracen (4) und 3-Cyano-4-phenyl-6-(p-tolyl)-pyridin-2-on (5) in Chloroform wurde untersucht. Die Löschung verläuft über einen Resonanzenergietransfermechanismus. Die Geschwindigkeitskonstante für den Energietransfer (k _ET) ist bei gleichem Akzeptor für den Donor2 niedriger als für1. Daraus läßt sich schließen, daß in allen untersuchten Systemen der sterische Effekt über den Effekt des Ionisierungspotentials dominiert. Die berechneten kritischen Transferdistanzen betragen 17–72 Å. Im Gegensatz zu diesen Beobachtungen verläuft der vorherrschende Relaxationsmechanismus bei der Fluoreszenzlöschung von1 und2 durch 7,7,8,8-Tetracyanochinon-dimethan (6) über einencharge-transfer-Prozeß. Die Einflüsse von Temperatur und Geometrie der Verbindungen auf die Effizienz der Fluoreszenzlöschung von1 und2 durch den Akzeptor6 wurden ebenfalls untersucht.

     

Iodine-poly(2-vinylpyridine-co-styrene-co-divinylbenzene) charge transfer complexes with antibacterial activity

In this work, we have developed three different copolymers based on 2-vinylpyridine, styrene and crosslinked with divinylbenzene (10-30 mol%). The copolymers were morphologically and chemically characterized by apparent density, swelling degree, elemental analysis, Fourier transform infrared spectrophotometry and optical microscopy. The formation of iodine complexes with these copolymers was carried out by two different procedures: with solvent, or not. The influence of the copolymers structure on the capacity of anchoring iodine has been investigated. The antibacterial properties of polymeric charge transfer complexes were determined towards 10³-10⁷ cells/mL dilutions from the auxotrophic AB1157 Escherichia coli strain.     

Treatment of anions in SINDO1

The SINDO1 method is modified to include the calculation of molecular anions. Two versions of modifications are presented which are based on charge dependent orbital exponents. Calculated heats of formation and electron affinities are much improved compared to the standard version with fixed orbital exponents.Dedicated to Professor J. Koutecký on the occasion of his 65th birthday     

Y掺杂对氢氧化镍电极高温性能的影响

合成了内掺稀土元素Y的β-Ni(OH)2和α-Ni(OH)2材料, 并通过XRD、TEM、CV 和充放电测试等方法研究了Y元素对这两种晶型活性材料的结构、形貌以及高温电化学性能方面的影响, 发现Y元素可显著提高β-Ni(OH)2和α-Ni(OH)2材料的高温性能, 且作用机理相同, 均是通过提高析氧过电位来改善镍电极的高温充电效率. 但是α-Ni(OH)2在高温下的相稳定性仍有待提高.     

Spectroscopic Studies on Charge Transfer from Ce^3＋ to Yb^3＋ in KMgF3 ： Ce, Yb Nanocrystals

Nanocrystals of KMgF3 single-doped and codoped with Ce^3＋ or/and Yb^3＋ were synthesized separately by the mi-croemulsion method. The X-ray diffraction（XRD） patterns were indexed to show that the KMgF3 crystal system was unchanged. The fluorescent spectra of KMgF3： Ce, Yb polycrystal powders were studied and compared with those of the Ce,Yb doped KMgF3 crystals produced using the high-temperature solid phase method. The diffuse reflection spectra and infrared emission of KMgF3： Ce, Yb were investigated. From the results, the authors could confirm that there were charge transfer processes from Ce^3＋ to Yb^3＋ in both KMgF3： Ce,Yb nanocrystals and polycrystal powders.     

Impedance study of Ni–Co electro-deposition on Fe powder particles in fluidised bed systems

The electrochemical impedance method was applied during the electrochemical deposition of a binary Ni–Co coating on iron powder in a fluidised bed electrode system. The influence of the suspension density on the charge transfer in the course of the electro-deposition process was studied. At a potential of −900 mV (vs. Ag/AgCl/3 M KCl), when the binary Ni–Co layer was formed, the impedance data were characterised by two semicircles with the semicircle at high frequencies being larger in magnitude. A contribution of the diffusion process to the overall current was observed. The optimal suspension density for the charge transfer in the bed was 10×10⁻³–15×10⁻³ (i.e., 4–6 g of iron powder in 50 ml of electrolyte). The most probable mechanism of the charge transfer for the studied concentrations of powder particles is the convective mechanism. The iron particles dispersed in the electrolyte were considered to act as either a depolariser or an additional working electrode depending on the applied electrode potential and on the suspension density.     

二甲苯异构体双电荷离子和单电荷离子的动能谱研究

利用质量分析离子动能谱和碰撞诱导解离技采研究了邻、间、对二甲苯分子在电子轰击质谱中产生的双电荷离子[C8H10]2+、[C8H9]2+和单电荷离子[C8H10]+。根据测定的电荷分离反应的释放动能T和由此估算的双电荷离子电荷分离反应过渡态两电荷间距R,推测出过渡态的结构,利用单电荷离子[C8H10]+的MIKES/CID谱可区分邻二甲苯与间、对二甲苯异构体.     

Novel CaCO3/g-C3N4 composites with enhanced charge separation and photocatalytic activity

A novel CaCO₃/graphitic carbon nitride (g-C₃N₄) photocatalyst was synthesized for the first time via a facile calcination method using CaCO₃ and melamine as precursors. The as-prepared samples were characterized using various techniques, such as scanning and transmission electron microscopy, X-ray diffraction, Brunauer-Emmett-Teller analysis, as well as Fourier-transform infrared, X-ray photoelectron, photoluminescence, and UV–vis diffuse reflectance spectroscopy. The results of the experiments confirm the successful coupling of CaCO₃ to g-C₃N₄. The photocatalytic activity of the synthesized CaCO₃/g-C₃N₄ composites was evaluated by assessing their performance in the photocatalytic degradation of crystal violet (CV) in water under visible light irradiation. The analysis shows that CaCO₃/g-C₃N₄ exhibits higher photocatalytic activity towards CV degradation (76.0%) than pristine g-C₃N₄ (21.6%) and CaCO₃ (23.2%). Radical trapping and electron spin resonance experiments show that hydroxyl radicals (OH) and holes (h⁺) are the key reactive species in the photocatalytic process. The enhanced photocatalytic activity of the composite is mainly attributed to the efficient separation rate of electron-hole pairs achieved through the incorporation of CaCO₃.     

Diatomic interaction energies in the topological theory of atoms in molecules

Summary A partitioning of theab initio total energy into one-center and two-center terms is proposed. The partitioning scheme is developed using the auxiliary function (2, 1; 1, 2) = γ(2, 1)γ(1, 2) and the topological theory of atoms in molecules. It is shown that this scheme can be used at theoretical levels beyond Hartree-Fock. The numerical results indicate that the two-center terms follow the experimental trend of the dissociation energies for a series of related compounds.     

低能离子散射谱分析中的荷电效应及中和作用

用低能离子散射谱（ISS）对比分析了与样品托有良好电接触的和与样品托绝比的金属银片，观察到荷电效应对ISS分析有严重影响。实验还表明在ISS分析时使用低能电子中和枪可以有效地消除荷电效应，还发现电子中和枪的使用对于惰性气体离子的中和作用无明显影响。