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181.
A deuteron magnetic resonance and infrared study of the water molecules in lithium formate monohydrate, LiHCOO · H2O, has been made. The quadrupole coupling constants (e2qQ/h) and asymmetry parameters (η) were found to be 198.7±0.4 and 231.3±0.6 kHz, and 0.060±0.005 and 0.097±0.003, respectively, at 25 ° C.An interpretation is given of the infrared spectra in the OH-stretching region in terms of intra- and intermolecular couplings of the water molecules. It is found that the water molecules are vibrationally distorted by their environments such that the OH-stretching modes consist of independent stretchings of the two O-H bonds. 相似文献
182.
Kang K Gapinski J Lettinga MP Buitenhuis J Meier G Ratajczyk M Dhont JK Patkowski A 《The Journal of chemical physics》2005,122(4):44905
Translational tracer diffusion of spherical macromolecules in crowded suspensions of rodlike colloids is investigated. Experiments are done using several kinds of spherical tracers in fd-virus suspensions. A wide range of size ratios L/2a of the length L of the rods and the diameter 2a of the tracer sphere is covered by combining several experimental methods: fluorescence correlation spectroscopy for small tracer spheres, dynamic light scattering for intermediate sized spheres, and video microscopy for large spheres. Fluorescence correlation spectroscopy is shown to measure long-time diffusion only for relatively small tracer spheres. Scaling of diffusion coefficients with a/xi, predicted for static networks, is not found for our dynamical network of rods (with xi the mesh size of the network). Self-diffusion of tracer spheres in the dynamical network of freely suspended rods is thus fundamentally different as compared to cross-linked networks. A theory is developed for the rod-concentration dependence of the translational diffusion coefficient at low rod concentrations for freely suspended rods. The proposed theory is based on a variational solution of the appropriate Smoluchowski equation without hydrodynamic interactions. The theory can, in principle, be further developed to describe diffusion through dynamical networks at higher rod concentrations with the inclusion of hydrodynamic interactions. Quantitative agreement with the experiments is found for large tracer spheres, and qualitative agreement for smaller spheres. This is probably due to the increasing importance of hydrodynamic interactions as compared to direct interactions as the size of the tracer sphere decreases. 相似文献
183.
Genivaldo Julio Perptuo Jan Janczak 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):o431-o432
In the crystal structure of 3‐amino‐1,2,4‐triazine, C3H4N4, the molecules form hydrogen‐bonded chains that are almost parallel to the b axis (3.2°), and which are inclined to the a and c axes by ~21 and ~69°, respectively. The distortion of the 1,2,4‐triazine ring in the crystal is compared with gas‐phase ab initio molecular‐orbital calculations. 相似文献
184.
Christopher H. Evans Morgan Partyka Jan Van Stam 《Journal of inclusion phenomena and macrocyclic chemistry》2000,38(1-4):381-396
Naphthalene forms 1 : 1 complexes with -cyclodextrin (-CD)in water. The binding constant is 377 ± 35 M-1. Addition of linear or branched alcohols causes a reduction in the apparent strength of naphthalene binding (Kapp) compared to the value in the absence of additives. For example, 1% 1-pentanol reduces Kapp to 184 ± 31 M-1. Branching does not alter Kapp much for a given number of carbon atoms, e.g., it is 113 ± 9 M-1for 2-pentanol and 116 ± 8 M-1for 3-pentanol. The exception to this is tert-butanol for which Kapp is 577 ± 40 M-1. The variation in Kapp as a function of [1-pentanol] yields values for the individual equilibrium constants contributing to Kapp. This reveals that a ternary complex forms involving naphthalene, the CD and 1-pentanol. The constant for formation of the ternary complex is 99 ± 29 M-2. NaI quenching of naphthalene fluorescence indicates that the CD cavity partially protects the naphthalene excited state fromthis water phase quencher. Interestingly, the Stern–Volmer constant is lower in the presence of 1-pentanol than in its absence, although there should be more unbound (and therefore more NaI accessible) naphthalene in the former system than in the latter. These apparently contradictory results are discussed in terms of ternary complex formation. 相似文献
185.
Summary The dehydrogenation of isobutane to isobutene in the presence of carbon dioxide was carried out over supported vanadium oxide
catalysts. The influence of the support on the catalytic performance was investigated. The isobutane conversion and isobutene
selectivity in the presence of carbon dioxide were compared with the results obtained during the dehydrogenation reaction
in the presence of helium (inert gas). The catalysts were characterized by temperature-programmed techniques (TPR, TPD-NH3, TPD-CO2). 相似文献
186.
Jan F. Rabek Gran Canbck Julia Lucky Bengt Rnby 《Journal of polymer science. Part A, Polymer chemistry》1976,14(6):1447-1462
The photolysis of virgin PVC powder suspended in water, methanol, n-hexane, aqueous NH4OH (30 wt-%), and 0.1 wt-% iodine in methanol and also as dry powder was studied. The mechanism of photolysis of PVC powder has been investigated by using ESR spectroscopy, conductivity titration, gel-permeation chromatography (GPC), and absorption spectroscopy. Photolysis of PVC has been found to occur by a free-radical mechanism. ESR spectroscopy permits a partial identification of several different types of free radicals in PVC such as alkyl, polyenyl, and peroxy radicals. An interpretation is proposed of the mechanism of formation of conjugated polyene structures, and also a new explanation of the crosslinking mechanism, in which transfer of unpaired electrons to double bonds occurs, is suggested. It has also been found that conjugated double bonds can photosensitize free-radical formation as a result of increased ultraviolet absorption due to polyene structures. 相似文献
187.
Applications of Mathematics - We derive sufficient conditions for asymptotic and monotone exponential decay in mean square of solutions of the geometric Brownian motion with delay. The conditions... 相似文献
188.
Barbara Szafran Jan Pawlaczyk 《Journal of inclusion phenomena and macrocyclic chemistry》1995,23(4):277-288
The 1 : 1 inclusion complex involving sulfafurazole (SF) and-cyclodextrin (-CD) is prepared by the freeze-drying method and characterized on the basis of its chemical analysis, thermal behavior, infrared spectrum, X-ray powder pattern and13C NMR spectrum in DMSO-d6 solution. The stability constant of the inclusion complex was determined by the solubility method. The effect of cyclodextrin on the UV absorption spectrum of sulfafurazole was also observed. 相似文献
189.
A heuristic method for dispatching repair men 总被引:2,自引:0,他引:2
A company has to provide service to its customers. A service consists of a visit to the customer plus the spending of some given time at the scene. The future customer demand is not known but the probability distribution for the demand may be known. When a customer call comes in, the company must immediately specify a time window within which the start of service will be provided. The problem is for a fixed service level to determine an optimal strategy of route design and time window setting so that the total distance travelled is minimized over the time horizon given. A heuristic method BARTOC (Booking Algorithm for Routing and Timing Of Customers) to solve the problem mentioned above is suggested. BARTOC is based on a cluster-first route-second approach. Some computational results are presented. The results indicate that BARTOC produces high quality solutions.Peter Matthiesen, Inc.Dano Chemo, Inc. 相似文献
190.