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21.
This paper reports the application of a new general tool for the study of multicenter bonding, namely the so-called generalized population analysis, to the investigation of interesting geometry dependent variation of 3c-2e bonding in the (C...H...C) fragments of ingeniously designed organic cations I and II. This phenomenon was previously characterized by the correlation between experimental (1)H NMR chemical shifts of the central hydrogen in the (C...H...C) fragment and the changes in the corresponding C-H-C bond angle. The observed values of both chemical shifts and C-H-C angles are shown herein to correlate with the calculated 3-center bond indices but the dependence displays splitting into two separate lines according to the type of corresponding cation. 相似文献
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Konstantin A. Kozhanov Michael P. Bubnov Nina N. Vavilina Larisa Yu. Efremova Georgy K. Fukin Vladimir K. Cherkasov Gleb A. Abakumov 《Polyhedron》2009,28(13):2555-2558
Structural study of dialkyl (PCP)-pincer o-semiquinonato nickel complexes indicated sloped relative positions of bi- and tri-dentate ligands. It became bright confirmation of propositions made on the base of their EPR spectra followed by molecular modelling. 相似文献
24.
Vadim Baigildin Galina Pankova Tatyana Evseeva Nikolay Lavrov Irina Shirokova Gleb Vaganov 《Journal of Dispersion Science and Technology》2017,38(11):1570-1577
The present article investigates the influence of dispersion medium on the aggregate stability of cross-linked poly-(methyl methacrylate) particles on the surface layer of which aliphatic amino groups are localized. It is shown that particle size depends on the ionic strength of dispersion medium. The research determines the optimal content of cross-linked agent, ethylene glycol dimetharylate that results in the formation of cationic particles being stable in saline. Particle modification is performed by bovine serum albumin and luminophore fluorescein 5(6)-isothiocyanate. Protein sorption is observed not to influence luminescent properties of the particles. It is also determined that due to the aggregate stability of particles obtained from 5?wt% of ethylene glycol dimethacrylate in saline, the monodispersity and the absence of inversion of zeta potential in wide pH range is retained, such particles may be considered as perspective carriers of biologically active substances. 相似文献
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Andrey I. Poddel’sky Ivan V. Smolyaninov Nadezhda T. Berberova Gleb A. Abakumov 《Journal of organometallic chemistry》2010,695(4):530-522
Triphenylantimony(III) and triethylantimony(III) readily react with 4,5-(1,1,4,4-tetramethyl-butane-1,4-diyl)-o-benzoquinone to form catecholato complexes R3Sb(4,5-Cat) (R = Ph (1), Et (2); 4,5-Cat is dianionic 4,5-(1,1,4,4-tetramethyl-butane-1,4-diyl)-catecholate). In polar solvents (CHCl3, acetone) complex 1 transforms easily to ionic complex compound [Ph4Sb]+[Ph2Sb(4,5-Cat)2]− (3) with diphenyl-bis-[4,5-(1,1,4,4-tetramethyl-butane-1,4-diyl)-catecholato]antimony(V) complex anion. Complexes were characterized by IR, 1H, 13C NMR spectroscopy, cyclic voltammometry. Molecular structure of 3·CHCl3 was confirmed by X-ray analysis. Cyclic voltammometry of 1 and 3 shows that both complexes undergo reversible one-electron oxidation to quite stable paramagnetic o-semiquinonato species [Ph3Sb(4,5-SQ)]+ and [Ph2Sb(4,5-SQ)(4,5-Cat)] (0.75 and 0.49 V in CH2Cl2 vs. Ag/AgCl/KCl, respectively). 相似文献
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Dr. Gleb I. Tselikov Prof. Dr. Victor Yu Timoshenko Prof. Dr. Leonid A. Golovan Dr. Jürgen Plenge Alina M. Shatalova Georgiy A. Shandryuk Irina Yu Kutergina Alexey S. Merekalov Prof. Dr. Eckart Rühl Prof. Dr. Raisa V. Talroze 《Chemphyschem》2015,16(5):1071-1078
The photoluminescence (PL) of CdSe quantum dots (QDs) that form stable nanocomposites with polymer liquid crystals (LCs) as smectic C hydrogen‐bonded homopolymers from a family of poly[4‐(n‐acryloyloxyalkyloxy)benzoic acids] is reported. The matrix that results from the combination of these units with methoxyphenyl benzoate and cholesterol‐containing units has a cholesteric structure. The exciton PL band of QDs in the smectic matrix is redshifted with respect to QDs in solution, whereas a blueshift is observed with the cholesteric matrix. The PL lifetimes and quantum yield in cholesteric nanocomposites are higher than those in smectic ones. This is interpreted in terms of a higher order of the smectic matrix in comparison to the cholesteric one. CdSe QDs in the ordered smectic matrix demonstrate a splitting of the exciton PL band and an enhancement of the photoinduced differential transmission. These results reveal the effects of the structure of polymer LC matrices on the optical properties of embedded QDs, which offer new possibilities for photonic applications of QD–LC polymer nanocomposites. 相似文献
29.
Gleb I. Pisarev Alex C. HoffmannWeiming Peng Henk A. Dijkstra 《Applied mathematics and computation》2011,217(11):5016-5022
The present work is a study of the gas-flow phenomenon known as the “end of the vortex” (EoV), which spontaneously occurs at the lower end, or under, reverse-flow centrifugal separators such as cyclones or swirl tubes. Different CFD models of swirl tubes have been built to study and analyse this phenomenon in detail. The present numerical work is based on—and compared with—previous experimental observations of this phenomenon. The numerical models were built in complete agreement with the geometrical configurations and operating conditions used in these earlier experimental studies [1]. Two different configurations of swirl tubes were analyzed. One configuration was an in principle long tube with variable length in which the dependence on the vessel length of the behaviour of the vortex core in a simple, well-defined geometry was studied. The other configuration was equipped with a wide “dust collection vessel” at the bottom, the depth of which was varied, to study the behaviour of the vortex core in a widely-used geometry. 3-D LES simulations were carried out using the commercial CFD package Star-CD. The bending of the vortex core to the wall of the vessel and its precessional motion, constituting the phenomenon of the EoV, was seen in both configurations, and the obtained results are in very good agreement, both qualitatively and to an extent quantitatively, with previous experimental results [1]. 相似文献
30.
Kazakova LI Shabarchina LI Sukhorukov GB 《Physical chemistry chemical physics : PCCP》2011,13(23):11110-11117
Enzyme based micron sized sensing system with optical readout was fabricated by co-encapsulation of urease and dextran couple with pH sensitive dye SNARF-1 into polyelectrolyte multilayer capsules. Co-precipitation of calcium carbonate, urease and dextran followed up by multilayer film coating and Ca-extracting by EDTA resulted in the formation of 3.5-4 micron capsules, what enable the calibrated fluorescence response to urea in concentration range from 10(-6) to 10(-1) M. The presence of urea can be monitored on a single capsule level as illustrated by confocal fluorescent microscopy. Variations in urease:dye ratio in capsules, applicability and limits of use of that type multi-component microencapsulated sensors are discussed. 相似文献