Influence of alkali cations on the infrared spectra of water molecules in aprotic solvents

Kleeberg, H.; Heinje, G.; Luck, W. A. P.

doi:10.1021/j100409a042

Cited by 66 publications

(22 citation statements)

References 2 publications

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“…Qualitative means to analyze the influence of the solute on the solvent spectrum were proposed later, and the spectra thus obtained could be treated as real solute-affected solvent spectra, not just mere spectral differences. The different procedures used for this purpose were termed variously as "double difference technique" [77], "weighted difference spectra" [8,76], and "differential spectra analysis" [99,100].…”

Section: Difference Spectra Method: Principles and Applicationsmentioning

confidence: 99%

“…When m → 0, eq. 7 reduces to (8) The above-mentioned approximation procedure of ε(ν i ) vs. m allows calculation of the respective molar absorptivity derivative at each wavenumber ν i . Equation 8 makes the basis for extraction of a solute-affected solvent spectrum extrapolated to infinite dilution conditions.…”

Section: Difference Spectra Method: Principles and Applicationsmentioning

confidence: 99%

“…The phenomenon of cooperativity is a key to proper interpretation of the properties of solutions, manifested by many of their observable attributes, including vibrational spectra. This was first noted in the classic work of Frank and Wen [7], although the practical application in vibrational spectra interpretation had to wait for its advent for the next three decades [8,9]. modes [27,28].…”

Section: Introductionmentioning

confidence: 99%

“…Many of the fundamental works describing the spectral effects of HDO are due to Luck and coworkers [8,9,68,69,76]. Particularly, the detailed characterization of van der Waals interactions in water [69], the proof of the importance of cooperative effects in liquid water [8,9,76], and the introduction of the weighted difference spectra method [8,76] had significant influence on further studies of hydration phenomena.…”

Section: Introductionmentioning

confidence: 99%

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Vibrational spectroscopy of semiheavy water (HDO) as a probe of solute hydration

Śmiechowski

Stangret

2010

Pure and Applied Chemistry

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Vibrational spectroscopy is an ideally suited tool for the study of solute hydration. Nevertheless, water is commonly considered by spectroscopists a difficult solvent to work with. However, by using the isotopic dilution technique, in which a small amount of D 2 O is introduced into H 2 O or vice versa with formation of semiheavy water (HDO), many technical and interpretative problems connected with measurement of infrared spectra of water may be circumvented. Particularly, the isotopic decoupling of stretching vibrational modes greatly simplifies interpretation of the spectra. Systematic studies conducted in several laboratories since the 1980s up to the present day have provided a vast amount of data, concerning mainly ionic hydration. Many of these experiments have been performed in our laboratory. The analysis method we applied is based on the quantitative version of the difference spectra technique and allows separation of the spectrum of solute-affected HDO from the bulk solvent. This review illustrates the development of vibrational spectroscopy of HDO and spectral analysis methods over the years, as well as summarizes the results obtained for ionic and nonionic solutes, including some general hydration models formulated on their basis.

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Section: Difference Spectra Method: Principles and Applicationsmentioning

confidence: 99%

Section: Difference Spectra Method: Principles and Applicationsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Vibrational spectroscopy of semiheavy water (HDO) as a probe of solute hydration

Śmiechowski

Stangret

2010

Pure and Applied Chemistry

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“…Some other studies noted that the effects of cations depend on their size. [22,23] Bergstroem and Lindgren [24] studied hydration of Mn 2+ , Fe 2+ and Co 2+ in dilute aqueous perchlorate solutions and revealed that the first-row transition-metal ions have similar effects on water (HOD). The effects of metal ions on the water structure need further study.…”

Section: Introductionmentioning

confidence: 99%

Effects of metal ion on the water structure studied by the Raman OH stretching spectrum

Jiang

Guan

et al. 2009

J Raman Spectroscopy

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Raman spectra in the O-H stretching region of aqueous salt solutions were measured and compared, and the effects of metal ions on water structure deduced. The effects of alkali ions, alkaline ions or the first-row transition metals on water structure were found to be similar. Differences of metal ionic effects on water structure exist among Na + , Mg 2+ and Al 3+ , and between Ca 2+ and Mn 2+ and Al 3+ and Fe 3+ . The factors that influence the metal ionic effects on the water structure are the ionic charge, the outmost electronic structure and ionic size, the ionic charge being the most important. With a five-component Gaussian deconvolution of the Raman spectra of the aqueous solutions of NaCl, MgCl 2 , AlCl 3 and FeCl 3 with concentrations of 0 to ∼1mol/l, the ionic effects were found to be similar on the bands at 3233, 3393, 3511 and 3628 cm −1 , but different on the band at 3051 cm −1 . With increasing polarization of the metal ion, the band at 3051 cm −1 , due to strong hydrogen bonding, increases.

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A Molecular Dynamics and X‐ray Diffraction Study of MgCl₂ in Methanol

Tamura

Spohr

Heinziger

et al. 1992

Ber Bunsenges Phys Chem

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A recently developed flexible three‐site model for methanol was employed to perform a Molecular Dynamics simulation of a 0.6 molal MgCl2 solution. The ion‐methanol and ion‐ion potential functions were derived from ab initio calculations. The structural properties of the solution are discussed on the basis of radial and angular distribution functions, the orientation of the methanol molecules, and their geometrical arrangement in the solvation shells of the ions. The dynamical properties of the solution are calculated from various autocorrelation functions. Results are presented for the influence of the individual ions on self‐diffusion coefficients, hindered translations, and internal vibrations of the methanol molecules. The comparison of calculated X‐ray structure and pair correlation functions with those got from a newly performed X‐ray measurement on the same solution shows good agreement.

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Influence of alkali cations on the infrared spectra of water molecules in aprotic solvents

Cited by 66 publications

References 2 publications

Vibrational spectroscopy of semiheavy water (HDO) as a probe of solute hydration

Vibrational spectroscopy of semiheavy water (HDO) as a probe of solute hydration

Effects of metal ion on the water structure studied by the Raman OH stretching spectrum

A Molecular Dynamics and X‐ray Diffraction Study of MgCl₂ in Methanol

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Influence of alkali cations on the infrared spectra of water molecules in aprotic solvents

Cited by 66 publications

References 2 publications

Vibrational spectroscopy of semiheavy water (HDO) as a probe of solute hydration

Vibrational spectroscopy of semiheavy water (HDO) as a probe of solute hydration

Effects of metal ion on the water structure studied by the Raman OH stretching spectrum

A Molecular Dynamics and X‐ray Diffraction Study of MgCl2 in Methanol

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Product

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A Molecular Dynamics and X‐ray Diffraction Study of MgCl₂ in Methanol