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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 1282-1286 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: X-ray and neutron diffraction measurements were performed on glassy water prepared by rapid cooling of water droplets on a cryoplate. Structure factors and radial distribution functions were found to be nearly identical to those obtained from amorphous ice formed either by vapor deposition onto substrates cooled at 77 K or after heating the high-density amorphous ice.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 6902-6910 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Quasielastic neutron scattering (QENS) spectra were measured for a 0.43 M solution of n-tetrapentylammonium bromide in deuterated acetonitrile at 25 °C, 5 °C, and −15 °C. Values of the translational diffusion coefficient of the cations were inferred from these data using a simple model of translation and rotation. These values are significantly higher than the ones obtained by nuclear magnetic resonance (NMR) spin–echo measurements. The difference can be explained by the different time scales covered by QENS and NMR. QENS shows essentially the contribution of a second order electrophoretic effect to the diffusion coefficient whereas NMR encompasses both electrophoretic and relaxation effects. Consequently, the combination of both techniques allows the two effects to be separated. The relaxation contribution to the diffusion coefficient was calculated by brownian dynamics simulation and compared to the experimental results. The solvent-averaged ion pair potentials used for this computation were simultaneously adjusted to the thermodynamic and to the small-angle neutron scattering data by means of hypernetted chain (HNC) calculations.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 99 (1993), S. 2079-2082 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Quasielastic neutron scattering spectra were measured for pure acetonitrile at 25 °C. In the framework of a simple model of translation and rotation, it was found that the short-time self-diffusion coefficient of liquid acetonitrile is similar to the long-time one measured by NMR. As far as the rotational motion is concerned, the characteristic time was found to be close to the typical value of the molecule spinning motion. The complete inelastic and quasielastic spectra may be further used to check the results of molecular dynamics simulations of acetonitrile.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 4246-4252 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In order to study the structural properties of water at interfaces, we performed neutron scattering experiments of water confined inside interconnected pores of Vycor glass. The structure factors and the corresponding radial distribution functions of the confined water have been determined as a function of temperature from 35 °C down to −100 °C and for two levels of hydration of the glass (full and partial hydration). At 27 °C, the structure factor of confined water is very similar to that of bulk water. When decreasing the temperature, we show that it is possible to supercool water inside pores of Vycor but not to the extent expected for such a small confining space. In fact the presence of large hydrophilic silica interface enhances the nucleation of ice. The observed phase of ice is the cubic ice which appears at about −18 °C in the full hydrated Vycor. The other interesting observation is a greater degree of supercooling of water in partially hydrated samples of Vycor compared to fully hydrated ones. Moreover, the presence of a small amount of liquid water down to −40 °C is identified.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 4454-4458 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 13195-13197 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 7
    ISSN: 0392-6737
    Keywords: Other interactions of matter with particles and radiation ; Infrared and Raman spectra and scattering
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto Vengono presentati e discussi risultati di EXAFS e scattering Raman in soluzioni acquose di ZnCl2 ed in soluzioni miste di ZnCl2 con LiCl, CaCl2 e SrCl2. Le misure EXAFS, effettuate mediante la facility PULS di Frascati (Italia), riguardano lo studio della struttura fine dello spettro di assorbimento sullo spigoloK dello zinco e del calcio. Le soluzioni acquose di ZnCl2 mostrano effetti di complessazione intorno allo ione zinco con un ordine locale di tipo tetraedrico. In contrasto i cationi Li+, Ca2+ e Sr2+ preferiscono una complessazione con l’acqua, con la conseguente formazione di una sfera di idratazione primaria. In eccesso di ioni cloro, le unità tetraedriche tendono a diventare sempre piú isolate e gli ioni cloro non agiscono da ponte tra le varie unità. I relativi spettri Raman confermano queste ipotesi topologiche: viene osservato, in particolare, uno spostamento a piú alte frequenze della vibrazione Raman total-simmetrica, associato alle unità tetraedriche ZnCl 4 2− , quando il rapportoR tra ioni zinco e ioni cloro è maggiore di due.
    Abstract: Резюме Приводятся данные EXAFS и данные по рамановскому рассеянию в Zn Cl2 водных растворах и в их смесях с LiCl, CaCl2 и SrCl2. Измерения, проведенные на аппаратуре PULS, на К-краяхцинка и кальция позволяют нам определить локалькый порядок около поглотителя в этих многокомпонентных системах. Водные растворы ZnCl2 обнаруживают структуру с образованием тетраэдрических комплексов около Zn2+. В противоположность этому, катионы Li+, Ca2+ и Sr2+ предпочитают комплексообразование с участием воды. В частности, получено явное подтверждение, что тетраэдрические агрегаты ZnCl 4 2− , которые представляют основные катион-анионные комплексы в таких растворах, становятся менее и менее взаимодействующими при увеличении величины отношенияR между ионами Cl− и Zn2+. Рамановский отклик подтверждает эти структурные гипотезы, указывающие, что колебательные зоны становятся более и более локализованными для величинR, больших двух.
    Notes: Summary EXAFS and Raman scattering data in ZnCl2 aqueous solutions and in their mixture with LiCl, CaCl2 and SrCl2 are presented. The measurements, carried out at the PULS facility on the Zn and CaK-edges, allow us to define the local order around the absorber in these multi-component systems. The aqueous ZnCl2 solutions exhibit inner-shell ion complexing with the formation of tetrahedral complexes about the Zn2+. In contrast, Li+, Ca2+ and Sr2+ cations prefer an inner-shell water complexation. In particular clear evidence exists that tetrahedral ZnCl 4 2− units, which are the main cation-anion complexes in such solutions, become less and less interacting for increasing values of the ratioR between Cl− and the Zn2+ ions. The Raman response confirms these structural hypotheses, indicating that the vibrational bands become more and more localized for values ofR higher than 2.
    Type of Medium: Electronic Resource
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