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241.
A one-step, surfactant-assisted, seed-mediated method has been utilized for the growth of short gold nanorods with reasonable yield by modifying an established synthesis protocol. Among the various parameters that influence nanorod growth, the impact of the bromide counterion has been closely scrutinized. During this study it has been shown that, irrespective of its origin, the bromide counterion [cetyltrimethylammonium bromide (CTAB) or NaBr] plays a crucial role in the formation of nanorods in the sense that there is a critical [Br(-)]/[Au(3+)] ratio (around 200) to achieve nanorods with a maximum aspect ratio. Beyond this value, bromide can be considered as a poisoning agent unless shorter nanorods are required. The use of AgNO(3) helps in symmetry breaking for gold nanorod growth, whereas the bromide counterion controls the growth kinetics by selective adsorption on the facets of the growth direction. Thus, a proper balance between bromide ions and gold cations is also one of the necessary parameters for controlling the size of the gold nanorods; this has been discussed thoroughly. The results have been discussed based on their absorption spectra and finally shape evolution has been confirmed by TEM. Due to their efficient absorption in the near-IR region, these short nanorods were used in photothermal imaging of living COS-7 cells with improved signal-to-background ratios. 相似文献
242.
Houcine Ghalla Noureddine Issaoui Brahim Oujia 《International journal of quantum chemistry》2012,112(5):1373-1383
This work presents a theoretical simulation of νO? H and νO? D band shapes in the polarized infrared spectra of 2‐furoic acid dimer crystals measured at liquid‐nitrogen temperature. The line shapes are studied theoretically within the framework of the anharmonic couplings between low‐frequency hydrogen‐bond vibrations and degenerate excited states of high‐frequency hydrogen vibrations in hydrogen‐bonded dimers and the anharmonic coupling between the first excited state of the fast mode and the harmonics or band combinations of some low‐frequency bending modes, which lead to Fermi resonances.This approach takes into account the adiabatic approximation, the intrinsic anharmonicity of the low‐frequency mode through a Morse potential, Davydov coupling triggered by resonance exchange between the excited states of the fast modes of the two hydrogen bonds involved in the cyclic dimer, and the direct and indirect damping of the fast‐stretching modes of the hydrogen bonds and of the bending modes. The infrared spectral density was calculated within the linear response theory by Fourier transform of the autocorrelation function of the transition dipole moment operator of the fast mode. Numerical results show that mixing of all these effects allows satisfactory reproduction of the main features of the experimental IR line shapes of crystalline H‐ and D‐bonded 2‐furoic acid at liquid‐nitrogen temperature and for different polarizations. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012 相似文献
243.
Ilham Halime Abdoulillah Bezgour Mohammed Fahim Michal Dusek Karla Fejfarova Mohammed Lachkar Brahim El Bali 《Journal of chemical crystallography》2011,41(2):223-229
Abstract
Using 1,4,8,11-tetraazacyclotetradecane (cyclam) as a template, two new layered zincophosphites, Zn(HPO3)2·0.5(C10H28N4) (1) and Zn2(HPO3)3·0.5(C10H28N4) (2), were synthesized and characterized by single crystal X-ray diffraction. The two new compounds crystallize in the triclinic system with the space group P − 1 and the cell parameters: a = 8.3130 ?, b = 8.7289 ?, c = 9.0055 ?, α = 106.90(1), β = 95.56(1), γ = 105.30(1), V = 592.31 ?3, Z = 2 for 1 and a = 9.0406 ?, b = 9.4234 ?, c = 9.4519 ?, α = 91.19(1), β = 100.73(1), γ = 106.85(1), V = 754.82 ?3, Z = 2 for 2. Both structures are described in terms of phosphometallic slabs hosting the cyclam cation. 相似文献244.
The joint continuity of Gaussian local times is investigated under conditions strictly weaker than the local nondeterminism. Our conditions are given in terms of the interpolation variances only and they cover the class of Gaussian Markov processes. A new order of infinitesimal in the tail probability of the local time at the origin is obtained. 相似文献
245.
In this paper we show existence and uniqueness of a solution for a system of m variational partial differential inequalities with inter-connected obstacles. This system is the deterministic version of
the Verification Theorem of the Markovian optimal m-states switching problem. The switching cost functions are arbitrary. This problem is in relation with the valuation of firms
in a financial market. 相似文献
246.
Messaoud Fatmi Brahim Ghebouli Mohamed Amine Ghebouli Abdelmadjid Bouhemadou Saad Binomran 《Journal of Physics and Chemistry of Solids》2012,73(1):1-7
A theoretical study of the structural, electronic, optical and thermodynamic properties of NaxRb1?xH and NaxK1?xH ternary alloys in NaCl phase has been carried out using the first-principles method. We modeled the alloys at some selected compositions with ordered structures described in terms of periodically repeated supercells. The dependences on the composition of the lattice constant, band gap, dielectric constant, refractive index, Debye temperature, mixing entropy and heat capacities were analyzed for x=0, 0.25, 0.50, 0.75 and 1. The lattice constants of NaxRb1?xH and NaxK1?xH exhibit a marginal deviation from Vegard's law. A strong deviation of the bulk modulus from linear concentration dependence was observed for both alloys. We found that the composition dependence of the energy band gap is highly non linear and the large bowing coefficient for NaxRb1?xH is sensitive to the composition. Using the approach of Zunger and co-workers, the microscopic origins of the gap bowing were detailed and explained. The thermodynamic stability of these alloys was investigated by calculating the phase diagram. The thermal effect on some macroscopic properties was investigated using the quasi-harmonic Debye model. There is a good agreement between our results and the available experimental data for the binary compounds, which is a support for those of the ternary alloys that we report for the first time. 相似文献
247.
The on-axis intensity distribution of a beam generated by a Fresnel axicon (fraxicon) is experimentally and numerically examined and compared to a classical axicon. Monochromatic illumination produces strong oscillations in this distribution due to diffraction from the fraxicon facets combined with shadowing effects. It is shown that by proper selection of the ratio of the illuminating light wavelength to the period of the fraxicon these oscillations can be minimized by exploiting interference. In addition, polychromatic illumination of the fraxicon also permits homogenization of the on-axis intensity with some remaining oscillations at the start of the depth of field which can be reduced by decreasing the period of the fraxicon. 相似文献
248.
Ródenas A Martin G Arezki B Psaila N Jose G Jha A Labadie L Kern P Kar A Thomson R 《Optics letters》2012,37(3):392-394
We report the fabrication of single-mode buried channel waveguides for the whole mid-IR transparency range of chalcogenide sulphide glasses (λ ≤ 11 μm), by means of direct laser writing. We have explored the potential of this technology by fabricating a prototype three-dimensional three-beam combiner for future application in stellar interferometry that delivers a monochromatic interference visibility of 99.89% at 10.6 μm and an ultrahigh bandwidth (3-11 μm) interference visibility of 21.3%. These results demonstrate that it is possible to harness the whole transparency range offered by chalcogenide glasses on a single on-chip instrument by means of direct laser writing, a finding that may be of key significance in future technologies such as astrophotonics and biochemical sensing. 相似文献
249.
Pieter C.M.M. Magusin Brahim Mezari Lars van der Mee Anja R.A. Palmans E.W. Meijer 《Macromolecular Symposia》2005,230(1):126-132
Two grades of a novel biodegradable copolymer of ω-pentadecalactone (PDL) and 2-oxo-12-crown-4 (OC), with respective molar compositions of 77/23 and 52/48, were characterized with 1D and 2D MAS 1H and 13C NMR spectroscopy. The results indicate that both copolymers are semi-crystalline with PDL divided over the crystalline and amorphous phase, and OC exclusively located in the amorphous phase. Proton T2 and T1ρ relaxation confirm the existence of small crystalline domains. 相似文献
250.
The role of Lewis and Brønsted acid sites in the Diels-Alder cycloaddition (DAC) of ethylene to 2,5-dimethylfuran (2,5-DMF) to p-xylene was investigated. Amorphous silica catalysts containing Al3+ (ASA), Ga3+ (ASG), and In3+ (ASI) were prepared via homogeneous deposition-precipitation. Silica modified with Zr4+ (ASZ) was prepared by impregnation. Their acidic properties were characterized by various IR and NMR spectroscopic techniques. Measurements using pyridine as a probe molecule highlighted the presence of mostly Lewis acid sites (LAS) in all materials. Using CO as a probe, in contrast, demonstrated the existence of Brønsted acid sites (BAS) in ASA and ASG, which were nearly absent in ASI and ASZ. Differences in basic strength can explain the contrast in results observed between the two probe molecules. The highest p-xylene yield (~20 %) in the DAC reaction, could be achieved with ASA and ASG. The lack of BAS in ASI and ASZ resulted in inferior performance in the DAC, with p-xylene yields below 5 %. These results indicate the importance of BAS for the DAC reaction. Several other heterogeneous and homogeneous catalysts were explored for the DAC reaction to show the generality of our conclusion that BAS play a critical role in obtaining p-xylene from 2,5-DMF and ethylene. 相似文献