Infrared spectra and structure of water clusters trapped in argon and krypton matrices

Hirabayashi, Shinichi; Yamada, Kōichi

doi:10.1016/j.molstruc.2006.02.019

Cited by 47 publications

(64 citation statements)

References 31 publications

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“…1(b) at a relatively lower dilution of Ar/D 2 O = 400, absorption peaks appear at 2373 and 2537 cm 1 and are assigned to the bonded-OD vibrations of (D 2 O) 6 . 3,24 The D 2 O concentration was further raised in Fig. 1(c), where broad absorptions around 2320, 2430, and 2640 cm 1 marked by arrows, were newly detected together with a background absorption extending from 2300 to 2700 cm 1 due to bulk ice.…”

Section: A D 2 O-concentration Dependencementioning

confidence: 93%

D2O clusters isolated in rare-gas solids: Dependence of infrared spectrum on concentration, deposition rate, heating temperature, and matrix material

2018

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The infrared absorption spectra of D2O monomers and clusters isolated in rare-gas matrices were systematically reinvestigated under the control of the following factors: the D2O concentration, deposition rate, heating temperature, and rare-gas species. We clearly show that the cluster-size distribution is dependent on not only the D2O concentration but also the deposition rate of a sample; as the rate got higher, smaller clusters were preferentially formed. Under the heating procedures at different temperatures, the cluster-size growth was successfully observed. Since the monomer diffusion was not enough to balance the changes in the column densities of the clusters, the dimer diffusion was likely to contribute the cluster growth. The frequencies of the bonded-OD stretches of (D2O)k with k = 2-6 were almost linearly correlated with the square root of the critical temperature of the matrix material. Additional absorption peaks of (D2O)2 and (D2O)3 in a Xe matrix were assigned to the species trapped in tight accommodation sites.

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Section: A D 2 O-concentration Dependencementioning

confidence: 93%

D2O clusters isolated in rare-gas solids: Dependence of infrared spectrum on concentration, deposition rate, heating temperature, and matrix material

2018

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“…The x H increases from 3,420 to 3,650 cm -1 when the surface water molecules turn to be gaseous molecules [40]. IR measurements [38,41] revealed that the x H shifts from 3,225, 3,350, 3,380 to 3,525 cm -1 when N drops from 6, 5, 4 to 3 of (H 2 O) N encapsuled in inert matrices. The frequencies change slightly by 5-10 cm -1 when the clusters are capsuled in Ke and Ar matrices [41].…”

Section: Observationsmentioning

confidence: 99%

“…IR measurements [38,41] revealed that the x H shifts from 3,225, 3,350, 3,380 to 3,525 cm -1 when N drops from 6, 5, 4 to 3 of (H 2 O) N encapsuled in inert matrices. The frequencies change slightly by 5-10 cm -1 when the clusters are capsuled in Ke and Ar matrices [41]. Figure 35.3b also shows that the size stiffening of x H happens to large clusters [37].…”

Section: Observationsmentioning

confidence: 99%

“…For instances, the x H is stiffened from 3,200 to 3,650 cm -1 when water cluster (H 2 O) N drops from N = 6 to 1 [39] and from 3,420 to 3,650 cm -1 when the water (surface) becomes gaseous molecules [40]. IR measurements [38,41] revealed that the x H shifts from 3,225, 3,350, 3,380 to 3,525 cm -1 when N drops from 6, 5, 4 to 3 of (H 2 O) N encapsuled in inert matrices. When the ice cluster reduces from 475 to 85 molecules, the x H transits from 3,200 dominance to 3,500 cm -1 [42], suggesting the shortening the real bond and stiffening the x H phonons when the cluster size is reduced.…”

Section: O:h and H-o Length Cooperativitymentioning

confidence: 99%

“…Polarization enhancement of the under-coordinated water molecules [1,66] is related to the O-O distance because of the charge conservation of the molecules. As it has been discovered [33], the dissociation energy for an electron in solution , and Exp-4 [41]. Measurements of the x L redshift are not presently available due to experimental sensitivity limitations changes from a bulk value of 3.3 to 1.6 eV at the water surface.…”

Section: O:h and H-o Length Cooperativitymentioning

confidence: 99%

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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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Infrared spectra and structure of water clusters trapped in argon and krypton matrices

Cited by 47 publications

References 31 publications

D2O clusters isolated in rare-gas solids: Dependence of infrared spectrum on concentration, deposition rate, heating temperature, and matrix material

D2O clusters isolated in rare-gas solids: Dependence of infrared spectrum on concentration, deposition rate, heating temperature, and matrix material

Molecular Clusters, Skins, and Ultrathin Films

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

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