Liquid water in the domain of cubic crystalline ice Ic

Jenniskens, Peter; Banham, Sally F.; Blake, D. F.; McCoustra, Martin R. S.

doi:10.1063/1.474468

Cited by 163 publications

(182 citation statements)

References 36 publications

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“…Upon warming, noncrystalline ice (nc-ice) transforms irreversibly to the Ic phase over a relatively wide range of transition temperature of 140-160 K. 18 This crystallization process, which begins at temperature just above the glass-to-liquid transition, has been noted as incomplete because fragments of the noncrystalline microphases could persist in coexistence metastably with Ic over the temperature range 140-210 K, and with both Ic and Ih above 160 K. The nature of these noncrystalline micro-phases remains a subject of intense debate. 6,7,18 Furthermore, irreversible transformation from Ic to Ih has been observed over a wide temperature range of 160-240 K, which has been attributed to the dependence of the crystallization temperature on the size of the cubic ice crystals. 19 These observations suggest that the ice phase at temperature range between ∼135 K (the onset of the glass-to-liquid transformation) and 240 K (completion of Ic-to-Ih transformation) consists of noncrystalline and crystalline micro-phases dynamically in coexistence, with an increasing proportion of the latter phase with increasing temperature.…”

Section: Introductionmentioning

confidence: 99%

“…37 Moreover, the presence of noncrystalline micro-fragments cannot be ruled out. 7,18 For nc-ice, Fresnel simulations are carried out using the corresponding values of n and k for amorphous ice films deposited at 77 K reported by Leger et al 38 Optical constants of Cu at room temperature compiled by Palik et al 39 are used to generate the (n, k) constants of Cu at the same wavenumbers as the set of complex refractive indexes ñ j of the ice reported in the literature. Given the very small value of the magnetic susceptibility for Cu (-5.5 × 10 -6 cgs), 40 the magnetic permeability of Cu is set to unity in our calculations.…”

Section: Spectral Simulationsmentioning

confidence: 99%

“…The structural properties of different noncrystalline and crystalline ice phases and their surfaces have been investigated by a variety of techniques, including X-ray diffraction, 5,6 electron diffraction and microscopy, 7,8 neutron diffraction and inelastic scattering, 9,10 helium diffraction, 11 calorimetry, 12 and IR and Raman spectroscopies. [13][14][15][16][17] These studies have shown that condensation of water vapor on a cold substrate at low pressure may lead to, depending upon the deposition conditions, the formation of different noncrystalline structures below 130 K and of polycrystalline ice (pc-ice) polymorphs, Ic (cubic ice), and Ih (hexagonal ice), at a more elevated temperature.…”

Section: Introductionmentioning

confidence: 99%

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Film Growth of Ice by Vapor Deposition at 128−185 K Studied by Fourier Transform Infrared Reflection−Absorption Spectroscopy: Evolution of the OH Stretch and the Dangling Bond with Film Thickness

Kanan

Leung

2002

J. Phys. Chem. B

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The polycrystalline and noncrystalline ice films vapor-deposited at 128-185 K were investigated by grazingangle Fourier transform Infrared Reflection-Absorption Spectroscopy (RAS). In particular, the polycrystalline ice phase was found above 155 K, whereas the noncrystalline phase was formed below 145 K. The nature of the polycrystalline and noncrystalline ice phases can be differentiated by comparing the respective RA spectra with spectral simulations based on the Fresnel reflection and Mie scattering methods. Furthermore, the OH stretching band (3800-2800 cm -1 ) exhibits complex behavior as a function of film thickness (from less than 10 nm to 1500 nm), which can be simulated and attributed primarily to the physics of absorption-reflection based on the Fresnel equations for reflection coefficients for parallel-and perpendicular-polarized light in a vacuum-dielectric film-metal system. The spectral evolution of the OH stretch with the film thickness is found to be similar for both polycrystalline and noncrystalline phases. In addition, spectral features of the incompletely coordinated OH groups at 3700-3690 cm -1 have been observed for a majority of noncrystalline and polycrystalline ice samples grown under different conditions (e.g., at 185 K), which shows that these OH dangling bonds are an integral part of the surfaces of both noncrystalline and polycrystalline ice phases. For thin films less than 200 nm thick, both kinds of ice are found to have a comparable amount of OH dangling bonds. In contrast, the thicker films (with thicknesses greater than 700 nm) of the noncrystalline phase contain a noticeably larger amount of OH dangling bonds than the polycrystalline films of comparable thickness. This thickness dependence of the OH dangling bond feature suggests that the OH dangling bonds are located most likely on the external surfaces of the crystalline grains and/or of the ice film itself at larger thicknesses for polycrystalline phase and on the tracery external surface in the case of noncrystalline phase.

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Section: Introductionmentioning

confidence: 99%

Section: Spectral Simulationsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Film Growth of Ice by Vapor Deposition at 128−185 K Studied by Fourier Transform Infrared Reflection−Absorption Spectroscopy: Evolution of the OH Stretch and the Dangling Bond with Film Thickness

Kanan

Leung

2002

J. Phys. Chem. B

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“…Fig. 3 shows a typical mid-IR spectrum of cubic-crystalline water ice deposited at 140 K. [27][28][29] The water IR spectrum exhibits four broad bands between 400 and 4000 cm À1 : (i) the libration of water molecules at 12.5 mm (800 cm À1 ); (ii) the bending mode at $6 mm (1650 cm À1 ); (iii) a combination band at 4.5 mm (2200 cm À1 ); (iv) and the OH-stretching mode at $3 mm (3250 cm À1 ). Peak position and band prole of these bands are strongly dependent on the type of ice (amorphous vs. crystalline) and on thermal history of the ice as will be discussed in more detail later in the text.…”

Section: Mid-ir Spectra Of Selected Pure Icesmentioning

confidence: 99%

“…However, when amorphous water ice is heated to higher temperatures the ice goes through a series of irreversible transformations such as the transition between amorphous solid porous water and amorphous solid compact water (above $100 K), or amorphous solid compact water and crystalline water. However, crystallization of an annealed ice has been proven to be not completed even above 140 K. 29 Fig . 5 investigates the degree of crystallization of the water ice deposited at 175, 140, 125, and 10 K, respectively.…”

Section: Mid-ir Spectra Of Selected Pure Icesmentioning

confidence: 99%

THz and mid-IR spectroscopy of interstellar ice analogs: methyl and carboxylic acid groups

et al. 2014

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A fundamental problem in astrochemistry concerns the synthesis and survival of complex organic molecules (COMs) throughout the process of star and planet formation. While it is generally accepted that most complex molecules and prebiotic species form in the solid phase on icy grain particles, a complete understanding of the formation pathways is still largely lacking. To take full advantage of the enormous number of available THz observations (e.g., Herschel Space Observatory, SOFIA, and ALMA), laboratory analogs must be studied systematically. Here, we present the THz (0.3-7.5 THz; 10-250 cm À1 ) and mid-IR (400-4000 cm À1 ) spectra of astrophysically-relevant species that share the same functional groups, including formic acid (HCOOH) and acetic acid (CH 3 COOH), and acetaldehyde (CH 3 CHO) and acetone ((CH 3 ) 2 CO), compared to more abundant interstellar molecules such as water (H 2 O), methanol (CH 3 OH), and carbon monoxide (CO). A suite of pure and mixed binary ices are discussed. The effects on the spectra due to the composition and the structure of the ice at different temperatures are shown. Our results demonstrate that THz spectra are sensitive to reversible and irreversible transformations within the ice caused by thermal processing, suggesting that THz spectra can be used to study the composition, structure, and thermal history of interstellar ices.Moreover, the THz spectrum of an individual species depends on the functional group(s) within that molecule. Thus, future THz studies of different functional groups will help in characterizing the chemistry and physics of the interstellar medium (ISM).

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