| 1 | Author
| Liuping Chen, Thomas Gross, Hans-Dietrich Lüdemann | Requires cookie* | | Title
| The T, /7-Dependence of the Chemical Shift of the Hydroxyl Protons in Deeply Supercooled Methanol and Water  | | | Abstract
| The hydroxyl proton chemical shifts 6 (H-O) of supercooled methanol (7" min = 149 K) and water have been determined (7" min = 183 K), and the pressure dependence of these shifts was measured up to 200 MPa. In both compounds the downfield shift of <5 (H-O) continues down to the lowest tempera-tures reached. This result disagrees with the two state models for the hydrogen bond formation in both liquids. The isotherms ö (H 2 0) show for T< 273 K an upfield shift that becomes more pronounced with decreasing temperature. For 6 (H-O-CH^), increasingp causes at all temperatures a downshift. | | |
Reference
| Z. Naturforsch. 55a, 473—477 (2000); received November 11 1999 | | |
Published
| 2000 | | |
Keywords
| NMR, Supercooling, Pressure, Methanol, Water | | |
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| default:Reihe_A/55/ZNA-2000-55a-0473.pdf | | | Identifier
| ZNA-2000-55a-0473 | | | Volume
| 55 | |
2 | Author
| Bai Zhu, G.Wilse Robinson | Requires cookie* | | Title
| Sheng  | | | Abstract
| The structure and properties of a 1.791 molal aqueous LiF solution is investigated by performing molecular dynamics simulations using a water model with both bond flexibility and instantaneously responsive polarization. On average, each cation is in close contact with about one anion. This causes a strong overlap of the hydration shells and an almost complete breakdown of the surround ing water structure. While the lone pairs of the hydration waters in the first Li+ shell occupy preferentially tetrahedral positions, the orientational distribution of the solvent molecules around F~ is quite uniform. By comparing various autocorrelation functions of water molecules in the solution and in the pure liquid, the influence of solvated ions on the translational, rotational and vibrational motions of hydration water can be studied. M o le c u la r D y n a m ic s S tu d y o f a n A q u e o u s L iF S o lu tio n | | |
Reference
| Z. Naturforsch. 46a, 221—228 (1991); received October 4 1990 | | |
Published
| 1991 | | |
Keywords
| Hydration, Ions, Water, Solubility, Ion-pairs | | |
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| default:Reihe_A/46/ZNA-1991-46a-0221.pdf | | | Identifier
| ZNA-1991-46a-0221 | | | Volume
| 46 | |
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