Hydration and Ion-Pair Formation of NaNO(aq): A Vibrational Spectroscopic and Density Functional Theory Study.

Qualitative and quantitative Raman and infrared measurements on sodium nitrate (NaNO) solutions have been carried out over a wide concentration range (5.56 × 10-7.946 mol/L) in water and heavy water.

On the Hydration of Heavy Rare Earth Ions: Ho, Er, Tm, Yb and Lu-A Raman Study.

Raman spectra of aqueous Ho, Er, Tm, Yb, and Lu-perchlorate solutions were measured over a large wavenumber range from 50-4180 cm. In the low wavenumber range (terahertz region), strongly polarized Raman bands were detected at 387 cm, 389 cm, 391 cm, 394 cm, and 396 cm, respectively, which are fairly broad (full widths at half height at ~52 cm). These isotropic Raman bands were assigned to the breathing modes, ν Ln-O of the heavy rare earth (HRE) octaaqua ions, [Ln(HO)].

Hydration and Ion Pair Formation in Aqueous Lu- Solution.

Aqueous solutions of Lu- perchlorate, triflate and chloride were measured by Raman spectroscopy. A weak, isotropic mode at 396 cm (full width at half height (fwhh) at 50 cm) was observed in perchlorate and triflate solutions. This mode was assigned to the totally symmetric stretching mode of [Lu(OH₂)₈], ν₁LuO₈.

Raman spectroscopic characterization of light rare earth ions: La, Ce, Pr, Nd and Sm - hydration and ion pair formation.

Raman spectra of aqueous La, Ce, Pr, Nd and Sm - perchlorate solutions were measured and weak strongly polarized Raman bands were detected at 343 cm, 344 cm, 347 cm, 352 cm and 363 cm, respectively. The full width at half height for these bands is quite broad (∼50 cm) in the isotropic spectrum and the band width increases with increasing solute concentration. The polarized Raman bands were assigned to the breathing modes of the nona-aqua ions of the mentioned rare earth ions.

Hydration and ion pair formation in aqueous Y(3+)-salt solutions.

Raman spectra of aqueous yttrium perchlorate, triflate (trifluoromethanesulfonate), chloride and nitrate solutions were measured over a broad concentration range (0.198-3.252 mol L(-1)).

Hydration and ion pair formation in common aqueous La(III) salt solutions--a Raman scattering and DFT study.

Raman spectra of aqueous lanthanum perchlorate, triflate (trifluorosulfonate), chloride and nitrate solutions were measured over a broad concentration (0.121-3.050 mol L(-1)) range at room temperature (23 °C).

Vibrational spectroscopic studies and DFT calculations on NaCH3CO2(aq) and CH3COOH(aq).

Aqueous solutions of sodium acetate, NaCH3CO2, and acetic acid, CH3COOH, were studied using Raman and infrared spectroscopy. The spectra were recorded over a large concentration range, in the terahertz region and up to 4000 cm(-1). In the isotropic Raman spectrum in R-format, a polarized band at 189 cm(-1) was assigned to the ν1Na-O stretch of the hydrated Na(+)-ion and a shoulder at 245 cm(-1) to the restricted translation band, νsO-H···O* of the hydrated acetate ion, CH3CO2(-)(aq).

Hydration and speciation studies of Mn2+ in aqueous solution with simple monovalent anions (ClO4-, NO3-, Cl-, Br-).

Raman spectroscopic measurements have been performed on aqueous solutions of Mn(ClO4)2, MnCl2, MnBr2, and Mn(NO3)2 in the terahertz region (40-600 cm(-1)) and to wavenumbers up to 4200 cm(-1) employing an absorption gap in these light pink coloured solutions. In Mn(ClO4)2 solutions of water and heavy water, the hexahydrate and its deuterate, [Mn(OH2)6](2+) and [Mn(OD2)6](2+), were characterized as showing a very weak, strongly polarized band at 354 cm(-1) and 338 cm(-1), respectively. These modes were assigned to ν1 MnO6 of [Mn(OH2)6](2+) and [Mn(OD2)6](2+).

Hydration of the calcium(II) ion in an aqueous solution of common anions (ClO4-, Cl-, Br-, and NO3-).

Raman spectra of aqueous calcium salt solutions, Ca(ClO(4))(2), CaCl(2), CaBr(2), and Ca(NO(3))(2), were measured from the concentrated solution stage to more dilute solutions (6.08-0.1 mol L(-1)) at 23 °C in water and heavy water down to 40 cm(-1).

Raman spectroscopic studies and DFT calculations on tribromoacetic acid and tribromoacetic acid-d.

The Raman spectra of crystalline tribromoacetic acid (CBr(3)COOH), its deuterated analog (CBr(3)COOD) and a partially deuterated acid (CBr(3)COOD/H) have been measured using Raman spectroscopy. Density functional theory (DFT) calculations have been carried out in order to compare the measured spectra with the calculated ones and the bands have been assigned. The theoretical frequencies are close to the ones of the cyclic dimer in the crystal and this fact implies the "oriented gas" model for this compound.

Vibrational spectroscopic studies and DFT calculations on tribromoacetate and tribromoacetic acid in aqueous solution.

Aqueous solutions of sodium tribromoacetate (NaCBr3CO2) and its corresponding acid (CBr3COOH) have been studied using Raman and infrared spectroscopy. The spectra of the species in solution were assigned according to symmetry Cs. Characteristic bands of CBr3CO2-(aq) and the tribromoacetic acid, CBr3COOH(aq), are discussed.

Hydration of beryllium(II) in aqueous solutions of common inorganic salts. A combined vibrational spectroscopic and ab initio molecular orbital study.

Raman spectra of aqueous beryllium perchlorate, chloride, nitrate, and sulfate solutions have been measured over a broad concentration (0.098-4.950 mol L(-1)) range.

Speciation studies in aqueous HCO3(-)-CO3(2-) solutions. A combined Raman spectroscopic and thermodynamic study.

Raman (and a few additional FT-IR) spectroscopic measurements of sodium and potassium carbonate and hydrogencarbonate in aqueous solution have been carried out over wide concentration ranges at room temperature and at elevated temperatures. The bands of the CO3(2-)(aq) and HCO3(-)(aq) species, which possess pseudo D3h and C1 symmetry respectively, have been assigned and discussed. Quantitative Raman measurements and thermodynamic calculations on KHCO3 solutions show that the salt does not dissolve congruently in aqueous solutions but forms small amounts of CO3(2-).

Raman and infrared spectroscopic investigations on aqueous alkali metal phosphate solutions and density functional theory calculations of phosphate-water clusters.

Phosphate (PO(4)(3-)) solutions in water and heavy water have been studied by Raman and infrared spectroscopy over a broad concentration range (0.0091-5.280 mol/L) including a hydrate melt at 23 degrees C.

Vibrational spectroscopic studies and density functional theory calculations of speciation in the CO2-water system.

Raman spectra of CO(2) dissolved in water and heavy water were measured at 22 degrees C, and the Fermi doublet of CO(2), normally at 1285.45 and 1388.15 cm(-1) in the gaseous state, revealed differences in normal water and heavy water, although no symmetry lowering of the hydrated CO(2) could be detected.