A quantitative infrared spectroscopic method for the study of the hydration of ions in aqueous solutions

Kristiansson, Olof; Lindgren, Jan; Villepin, J. de

doi:10.1021/j100320a055

Cited by 76 publications

(75 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Thus, taking into account all spectral information we conclude that most of the water molecules absorbed from the atmosphere into the eight RTILs presented in Tables 1 and Table 2 are H-bonded via both hydrogen atoms of water to the two anions of RTILs. Table 1 27 and with studies of isotopically dilute HDO molecules of water 28 shows that the relative order of the interaction of water with anions in the systems containing the same anions as in the RTILs studied here is identical. Our findings are also consistent with the work on the interaction between methanol and various anions, 29 Nevertheless, we cannot exclude the presence of water-water aggregates in these RTILs at higher water concentrations when water is added into these RTILs.…”

Section: Resultssupporting

confidence: 55%

Molecular states of water in room temperature ionic liquidsElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b106900d/

Cammarata

Kazarian

Salter

et al. 2001

Phys. Chem. Chem. Phys.

1,379

961

View full text Add to dashboard Cite

Section: Resultssupporting

confidence: 55%

Molecular states of water in room temperature ionic liquidsElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b106900d/

Cammarata

Kazarian

Salter

et al. 2001

Phys. Chem. Chem. Phys.

1,379

961

View full text Add to dashboard Cite

“…17 By measuring the same concentration of salt in both pure water and water containing 8% HDO, and then subtracting the spectrum of pure water one gets an infrared spectrum of the HDO molecules different from those in the aqueous bulk. By taking the derivative of these spectra Ϭϵ/Ϭm where ϵ denotes the spectrum and m the molality of the solution then subtracting (1/N*M)*Ϭϵ/Ϭm from the spectrum of pure water, where N is the affected number of water and M is the mean molar mass in kg/mol of water and partially heavy water, as described by Kristiansson et al and Gampe et al;[18][19][20] the affected water peaks ascribed to water molecules bound to cations or anions are obtained through PCA. All calculations of the spectra were carried out using GRAMS AI version 8.0 (Thermo-Fisher Scientific) and RAZOR tools (Spectrum Square Associates), and two Array the Basic program YANUZ.AB was used to calculate the derivatives of the spectra.…”

Section: Double Difference Infrared Spectroscopy (Ddir)mentioning

confidence: 99%

“…The position of the anionic peak indicates that selenite ion is a weak structure maker with molecular interaction energy of water ΔU w = -45.2 kJ mol -1 derived from υ OD using the Badger-Bauer rule 27 using calculation procedure described in detail in earlier studies. 18,19 It was possible to separate the contributions from the sodium and selenate ions in the affected DDFTIR spectra, Figure 7. 3 Transforming the υ OD for the affected water peak of the selenate ion to molecular interaction energy of water it becomes ΔU w = -47.4 kJ•mol -1 .…”

Section: Fourier Transform Infrared Spectroscopymentioning

confidence: 99%

Structure and hydrogen bonding of the hydrated selenite and selenate ions in aqueous solution

Eklund

Persson

2014

Dalton Trans.

View full text Add to dashboard Cite

Graphical Entry Textual abstractThe selenite ion has an asymmetric hydration sphere with loosely electrostatically bound water molecules outside the free electron pair. 2 AbstractStructure and hydrogen bonding of the hydrated selenite, SeO 3 2-, and selenate, SeO 4 2-, ions have been studied in aqueous solution by large angle X-ray scattering (LAXS), EXAFS and double difference infrared (DDIR) spectroscopy. The mean Se-O bond distances are 1.709(2) and 1.657(2) Å, respectively, as determined by LAXS, and 1.701(3) and 1.643(3) Å by EXAFS.These bond distances are slightly longer than the mean distances found in the solid state, 1.691 and 1.634 Å, respectively. The structures of The DDIR spectra show peaks for affected water bound to the selenite and selenate ions at 2491±2 and 2480±39 cm -1 , respectively, compared to 2509 cm -1 in pure water. This shows that the selenite and selenite ions shall be regarded as weak structure makers. 3 IntroductionThe selenium oxo acids and their salts have many similarities with the corresponding sulfur oxo acids, including similar physico-chemical parameters as e.g. the acid dissociations constants; H 2 SeO 4 : pK a2 =1.70; H 2 SO 4 : pK a2 =1.99; H 2 SeO 3 , pK a1 =2.62, pK a2 =8.32, H 2 SO 3 ; pK a1 =1.85, pK a2 =7.20 . 1 The structure and hydrogen bonding of the hydrated sulfite and sulfate ions have previously been studied in aqueous solution using large angle X-ray scattering (LAXS) and double difference infrared spectroscopy as well as simulations on QMCF MD level. 2-4 Three water molecules are hydrogen bound to each oxygen atom for both ions. Furthermore, some water molecules are clustered outside the lone electron-pair of the sulfite ion at a reasonably welldefined distance. 4 In studies of other oxoanions it has been shown that the number of hydrogen bound water molecules seems to decrease when the central atom belong to the third and fourth series. The arsenate ions, independent of degree of protonation, and arsenous and telluric acid all bind approximately two water molecules to each oxygen. 5 The sulfate and sulfite ions are both weak structure makers, thus the hydrogen bond between the sulfate/sulfite oxygens and the hydrating water molecules is slightly shorter and stronger than between water molecules in the aqueous bulk. [2][3][4] It is of fundamental interest to compare the hydration of the selenite and sulfite ions as they have asymmetric hydration shells due to the presence of a free electron pair in the fourth tetrahedron vortex. Previously reported simulations of the water exchange dynamics of the hydrated sulfate and sulfite ions in aqueous solution showed significantly different mechanisms. 4 The hydrogen bound water molecules on the sulfate oxygen exchange directly with a bulk water. On the other hand, the asymmetrically hydrated sulfite ion exchanges almost all water molecules in close vicinity of the free electron pair with a transport path from the sulfite oxygens to this region. 4 The aim of this study is to determine the structures and the hydrogen b...

show abstract

“…Such visualization of the spectral changes -i.e. the incomplete subtraction of a reference spectrum, which yielded a positive difference curve in the region of interest, was used successfully by Kristiansson et al [33] and by Stangret and co-workers [34][35][36][37]. The spectra after the subtraction of a reference water spectrum are described as difference spectra in the following text.…”

Section: Data Processingmentioning

confidence: 99%

Role of hydration and water coordination in micellization of Pluronic block copolymers

Šturcová

Schmidt

Dybal

2010

Journal of Colloid and Interface Science

View full text Add to dashboard Cite

A quantitative infrared spectroscopic method for the study of the hydration of ions in aqueous solutions

Cited by 76 publications

References 0 publications

Molecular states of water in room temperature ionic liquidsElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b106900d/

Molecular states of water in room temperature ionic liquidsElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b106900d/

Structure and hydrogen bonding of the hydrated selenite and selenate ions in aqueous solution

Role of hydration and water coordination in micellization of Pluronic block copolymers

Contact Info

Product

Resources

About