Near infrared spectra of water and aqueous solutions

Yamatera, Hideo; Fitzpatrick, Brian; Gordon, Gilbert

doi:10.1016/0022-2852(64)90121-3

Cited by 84 publications

(27 citation statements)

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“…[38,39] Many thermodynamic ands pectroscopic techniques have been used to determine the hydration numberso fe lectrolytes and nonelectrolytes, [40][41][42][43][44][45][46][47][48] the structural details of which have been also studied theoretically by many researchers. [62] The effect of dissolved species on the combination water band (n 1 + n 2 + n 3 )w as studied by Yamatera et al, [63] who observed that effect of cations on the water structure was less pronounced than that of anions, and larger anionsshowed greater structure-breaking effects, whereas multivalent cationsp romoted the icelike structure of water in solution. [54] Recently,n ear-infrared (NIR) spectroscopy has been used extensively for chemical analysisa nd characterization.…”

Section: Introductionmentioning

confidence: 99%

“…Buijs and Choppin studied the NIR spectra of ice and pure liquid water; [61] their results emphasized that differentt ypes of water species with zero, one, and two Hbonds were involved in H-bonding in water.T hey also observed that ions, such as La 3 + and Mg 2 + ,b ehaved as water structurem akers, whereas K + and Na + ions showeds tructurebreakinge ffects on water. [62] The effect of dissolved species on the combination water band (n 1 + n 2 + n 3 )w as studied by Yamatera et al, [63] who observed that effect of cations on the water structure was less pronounced than that of anions, and larger anionsshowed greater structure-breaking effects, whereas multivalent cationsp romoted the icelike structure of water in solution. Fisher et al developed aN IR spectroscopic method for the determination of the hydration numberso fs alts, such as perchlorate and alkali halides, in aqueous solutions.…”

Section: Introductionmentioning

confidence: 99%

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Hydrogen Bonding in Liquid Water and in the Hydration Shell of Salts

Dagade

Barge

2016

ChemPhysChem

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A near-IR spectral study on pure water and aqueous salt solutions is used to investigate stoichiometric concentrations of different types of hydrogen-bonded water species in liquid water and in water comprising the hydration shell of salts. Analysis of the thermodynamics of hydrogen-bond formation signifies that hydrogen-bond making and breaking processes are dominated by enthalpy with non-negligible heat capacity effects, as revealed by the temperature dependence of standard molar enthalpies of hydrogen-bond formation and from analysis of the linear enthalpy-entropy compensation effects. A generalized method is proposed for the simultaneous calculation of the spectrum of water in the hydration shell and hydration number of solutes. Resolved spectra of water in the hydration shell of different salts clearly differentiate hydrogen bonding of water in the hydration shell around cations and anions. A comparison of resolved liquid water spectra and resolved hydration-shell spectra of ions highlights that the ordering of absorption frequencies of different kinds of hydrogen-bonded water species is also preserved in the bound state with significant changes in band position, band width, and band intensity because of the polarization of water molecules in the vicinity of ions.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Hydrogen Bonding in Liquid Water and in the Hydration Shell of Salts

Dagade

Barge

2016

ChemPhysChem

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“…We report here a simple differential analysis of the near-infrared spectra of aqueous solutions, which provides a sensitive method for comparing the effect of temperature to that of hydrophobic solutes on the solvent spectrum. Near-infrared spectroscopy has often been employed as a means of studying solvent modifications in aqueous solutions (3)(4)(5)(6)(7)(8)(9)(10)(11)(12)(13). 'NRCC Postdoctorate Fellow, 1969-1971 Discussion of the methods can be found in several recent papers and review articles (14,15).…”

Section: Introductionmentioning

confidence: 99%

Near Infrared Spectra of Water in Aqueous Solutions of Organic Salts. A Solvation Study of Bu₄NBr, , and

Jolicoeur¹,

Thé²,

Cabana³

1971

Can. J. Chem.

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The near-infrared spectrum of water at various temperatures and in aqueous solutions of Bu,NBr, NaB+,, and +,AsCl is studied in the region 0.8-1.2 p. The spectra are recorded differentially with respect to water by varying the cell lengths as to take into account density changes or the volume occupied by the solutes. A simple analysis of these spectra illustrates the qualitative similarity between the effects of the Bu,N+ ion and that of a temperature decrement on the spectrum of water. On the other hand striking differences are observed in the differential spectra obtained with Bu,NBr and the phenyl substituted salts. Further differences are exhibited in the relative solute-solvent interactions of B+,-and +,Asf.Les spectres de I'eau a diverses tempkratures et de quelques solutions aqueuses de Bu,NBr, NaB+, et +,AsCI ont kt6 examinks dans la region 0.8-1.2 p. Le spectre diffkrentiel (solution us. eau pure) de I'eau est obtenu directement en compensant les variations de densitk ou le volume occupC par I'Clectrolyte en solution par une variation de la longueur des cellules. Une analyse qualitative des spectres dkmontre que I'effet de l'ion Bu4N+ sur le spectre de I'eau est semblable A celui d'un abaissement de tempkrature. Par ailleurs une difference marquke apparait entre les spectres diffkrentiels obtenus pour Bu,NBr et ceux pour les sels contenant des noyaux benzeniques. On observe kgalement une diffkrence dans les interactions solute-solvant des ions B+,-et +,As+.

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“…The absorptions at 2 053 nm and 2 088 nm in PPM resin (2 040 nm and 2 090 nm in PHM) are both frequently assigned to hydroxyl group, but in PET [19,25] the 2 088 nm (2 090 nm) is assigned to carbon-oxygen bond vibrations that seems to apply in our case too. in DGEBA/DDM [25] , DGEBA/DDS [30] 1 916 liquid water, near boiling point [34] 1 920 moisture in polymers [14] , water doubly H-bonded to dioxane [33] 1 920-1 960 carbonyl [18] 1 923 water [29] ice, liquid water [32] 1 925 solutions of alcohols, sugars, ketones, acids [28] 1 927 cellulose [29] 1 934 in alcohols [26] 1 938 liquid water, near freezing point [34] 1 940…”

Section: Resultsmentioning

confidence: 99%

Investigation of Upper Liquid-Liquid Transition in Unsaturated Polyesters by Near-Infrared Spectroscopy

Pucić¹,

Ranogajec

2001

Macromol. Chem. Phys.

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Near infrared (NIR) spectroscopy was used to investigate less familiar transition in amorphous polymer melts – upper liquid‐liquid transition, Tlρ. This transition is related to lower liquid‐liquid transition, Tll, both are caused by stepwise decrease of local order based on secondary valent interactions that remain above glass transition temperature and has been recently detected in a number of polymers. If hydrogen bonding is possible in a polymer, as it is the case in the unsaturated polyesters under consideration, it may enhance the short‐range order. The NIR spectroscopy was chosen as a method of investigation because it is sensitive to structural changes, distinction between hydrogen bonded and non‐bonded hydroxyl groups is easier and thicker samples can be used than in MID region what is very important when concentration of measured species is low. The spectra of poly(1,3‐propyleneglycol maleate) with styrene and poly(1,6‐hexanediol maleate) were recorded at selected temperatures. Significant intensity changes of hydroxyl and carbonyl absorptions at 1 430 nm and between 1 900 nm and 2 100 nm accompanied by wavelength shifts occurred at Tlρ transition temperature while carbon‐hydrogen absorptions showed only minor changes. That confirmed our assumption that transition was caused by changes in hydrogen bonding.

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Near infrared spectra of water and aqueous solutions

Cited by 84 publications

References 13 publications

Hydrogen Bonding in Liquid Water and in the Hydration Shell of Salts

Hydrogen Bonding in Liquid Water and in the Hydration Shell of Salts

Near Infrared Spectra of Water in Aqueous Solutions of Organic Salts. A Solvation Study of Bu₄NBr, , and

Investigation of Upper Liquid-Liquid Transition in Unsaturated Polyesters by Near-Infrared Spectroscopy

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Near infrared spectra of water and aqueous solutions

Cited by 84 publications

References 13 publications

Hydrogen Bonding in Liquid Water and in the Hydration Shell of Salts

Hydrogen Bonding in Liquid Water and in the Hydration Shell of Salts

Near Infrared Spectra of Water in Aqueous Solutions of Organic Salts. A Solvation Study of Bu4NBr, , and

Investigation of Upper Liquid-Liquid Transition in Unsaturated Polyesters by Near-Infrared Spectroscopy

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Near Infrared Spectra of Water in Aqueous Solutions of Organic Salts. A Solvation Study of Bu₄NBr, , and