Infrared Spectroscopic Study on Anion-Hydration in CH2Cl2

Kleeberg, H.; Koçak, Özgül; Luck, W. A. P.

doi:10.1007/978-3-642-72701-6_4

Cited by 2 publications

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“…There are similar correlations between b and other structure making/breaking parameters. These include (Table ) the NMR water−proton relaxation time sensitivity parameter B NMR , (not shown), and the limited values for the symmetric IR vibration frequency, ν 1 (H 2 O) (Figure ) . Inverse correlations (not shown) are also obtained with the even more limited data available 45 (Table ) for the stretching and deformation Raman bands for O−H···X - that occur at ∼50 and ∼175 cm -1 .…”

Section: Resultsmentioning

confidence: 85%

Is There an Anionic Hofmeister Effect on Water Dynamics? Dielectric Spectroscopy of Aqueous Solutions of NaBr, NaI, NaNO₃, NaClO₄, and NaSCN

et al. 2005

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A systematic study of the dielectric relaxation spectra of aqueous solutions of NaBr, NaI, NaNO(3), NaClO(4), and NaSCN has been made over a wide range of frequencies (0.2 < or = nu/GHz < or = 89) and solute concentrations (0.05 < or = c/M < or = 1.5) at 25 degrees C. The spectra could be adequately described by a single Cole-Cole (CC) process, symmetrically broadened relative to that of pure water. However, similar quality fits were also obtained with a three-Debye-process (3D) model consisting of a small ion-pair contribution at lower frequencies and two solvent relaxations at higher frequencies. Assuming the ions to be solvent separated, the 3D model provided estimates of their association constants and their rate constants for formation and dissociation. The bulk water relaxation times obtained from both models showed almost no dependence on the nature of the anion. Nevertheless, there were subtle differences in the concentration dependences of the relaxation times which correlated with some, but not all, of the anion properties that are believed to be relevant for explaining the anionic Hofmeister series.

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Section: Resultsmentioning

confidence: 85%

Is There an Anionic Hofmeister Effect on Water Dynamics? Dielectric Spectroscopy of Aqueous Solutions of NaBr, NaI, NaNO₃, NaClO₄, and NaSCN

et al. 2005

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From Molecule to Cluster to Bulk: Water OH Vibrations in Different Surroundings

Hermansson

Ojamäe

1992

Int J of Quantum Chemistry

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Vibrational spectra for the O—H stretching motion of HDO molecules in different surroundings have been calculated by quantum mechanical ab initio methods and compared with experimental spectra. The free water molecule, water chains, and ion–water clusters are discussed. Solvent effects on OH vibrations in liquid water have been calculated as well as “in‐crystal” OH frequencies in some ice and ionic crystalline hydrate structures. The importance of nonadditivity effects, electron correlation (at the mp2 level), and long‐range interactions for the total frequency downshift is demonstrated. It is shown that the inclusion of these effects, in conjunction with a variational quantum mechanical treatment of the anharmonic vibrational stretching motion (force constants up to the fourth order), yields vibrational frequencies in quantitative agreement with experiment for a wide range of aqueous systems.

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Infrared Spectroscopic Study on Anion-Hydration in CH2Cl2

Cited by 2 publications

References 5 publications

Is There an Anionic Hofmeister Effect on Water Dynamics? Dielectric Spectroscopy of Aqueous Solutions of NaBr, NaI, NaNO₃, NaClO₄, and NaSCN

Is There an Anionic Hofmeister Effect on Water Dynamics? Dielectric Spectroscopy of Aqueous Solutions of NaBr, NaI, NaNO₃, NaClO₄, and NaSCN

From Molecule to Cluster to Bulk: Water OH Vibrations in Different Surroundings

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Infrared Spectroscopic Study on Anion-Hydration in CH2Cl2

Cited by 2 publications

References 5 publications

Is There an Anionic Hofmeister Effect on Water Dynamics? Dielectric Spectroscopy of Aqueous Solutions of NaBr, NaI, NaNO3, NaClO4, and NaSCN

Is There an Anionic Hofmeister Effect on Water Dynamics? Dielectric Spectroscopy of Aqueous Solutions of NaBr, NaI, NaNO3, NaClO4, and NaSCN

From Molecule to Cluster to Bulk: Water OH Vibrations in Different Surroundings

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Is There an Anionic Hofmeister Effect on Water Dynamics? Dielectric Spectroscopy of Aqueous Solutions of NaBr, NaI, NaNO₃, NaClO₄, and NaSCN

Is There an Anionic Hofmeister Effect on Water Dynamics? Dielectric Spectroscopy of Aqueous Solutions of NaBr, NaI, NaNO₃, NaClO₄, and NaSCN