Long-Range Structures of Amorphous Solid Water

被引：14

作者：

Li, Hailong ^{[1
]}

Karina, Aigerim ^{[1
]}

Ladd-Parada, Marjorie ^{[1
]}

Spah, Alexander ^{[1
]}

Perakis, Fivos ^{[1
]}

Benmore, Chris ^{[2
]}

Amann-Winkel, Katrin ^{[1
,3
,4
]}

机构：

[1] Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden

[2] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA

[3] Max Planck Inst Polymer Res, D-55128 Mainz, Germany

[4] Johannes Gutenberg Univ Mainz, Inst Phys, D-55128 Mainz, Germany

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2021年 / 125卷 / 48期

关键词：

X-RAY; INFRARED-SPECTROSCOPY; STACKING DISORDER; BENDING MODE; CUBIC ICE; DENSITY; FORMS; CRYSTALLIZATION; IRRADIATION; COMPACTION;

D O I：

10.1021/acs.jpcb.1c06899

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

High-energy X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) of amorphous solid water (ASW) were studied during vapor deposition and the heating process. From the diffraction patterns, the oxygen-oxygen pair distribution functions (PDFs) were calculated up to the eighth coordination shell and an r = 23 angstrom. The PDF of ASW obtained both during vapor deposition at 80 K as well as the subsequent heating are consistent with that of low-density amorphous ice. The formation and temperature-induced collapse of micropores were observed in the XRD data and in the FTIR measurements, more specifically, in the OH stretch and the dangling mode. Above 140 K, ASW crystallizes into a stacking disordered ice, I-sd. It is observed that the fourth, fifth, and sixth peaks in the PDF, corresponding to structural arrangements between 8 and 12 angstrom, are the most sensitive to the onset of crystallization.

引用

页码：13320 / 13328

页数：9

共 71 条

[41] Unveiling the Surface Structure of Amorphous Solid Water via Selective Infrared Irradiation of OH Stretching Modes [J].

Noble, J. A. ;

Martin, C. ;

Fraser, H. J. ;

Roubin, P. ;

Coussan, S. .

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2014, 5 (05) :826-829

[42] Infrared Resonant Vibrationally Induced Restructuring of Amorphous Solid Water [J].

Noble, Jennifer A. ;

Cuppen, Herma M. ;

Coussan, Stephane ;

Redlich, Britta ;

Ioppolo, Sergio .

JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 124 (38) :20864-20873

[43] FORMATION OF COMPACT AMORPHOUS H2O ICE BY CODEPOSITION OF HYDROGEN ATOMS WITH OXYGEN MOLECULES ON GRAIN SURFACES [J].

Oba, Y. ;

Miyauchi, N. ;

Hidaka, H. ;

Chigai, T. ;

Watanabe, N. ;

Kouchi, A. .

ASTROPHYSICAL JOURNAL, 2009, 701 (01) :464-470

[44] Intermediate range O-O correlations in supercooled water down to 235 K [J].

Pathak, Harshad ;

Spah, Alexander ;

Kim, Kyung Hwan ;

Tsironi, Ifigeneia ;

Mariedahl, Daniel ;

Blanco, Maria ;

Huotari, Simo ;

Honkimaeki, Veijo ;

Nilsson, Anders .

JOURNAL OF CHEMICAL PHYSICS, 2019, 150 (22)

[45] Diffusive dynamics during the high-to-low density transition in amorphous ice [J].

Perakis, Fivos ;

Amann-Winkel, Katrin ;

Lehmkuehler, Felix ;

Sprung, Michael ;

Mariedahl, Daniel ;

Sellberg, Jonas A. ;

Pathak, Harshad ;

Spah, Alexander ;

Cavalca, Filippo ;

Schlesinger, Daniel ;

Ricci, Alessandro ;

Jain, Avni ;

Massani, Bernhard ;

Aubree, Flora ;

Benmore, Chris J. ;

Loerting, Thomas ;

Gruebel, Gerhard ;

Pettersson, Lars G. M. ;

Nilsson, Anders .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2017, 114 (31) :8193-8198

[46] Analysis of stacking disorder in ice I using pair distribution functions [J].

Playford, Helen Y. ;

Whale, Thomas F. ;

Murray, Benjamin ;

Tucker, Matt G. ;

Salzmann, Christoph G. .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2018, 51 :1211-1220

[47]

Qiu X, 2004, J APPL CRYSTALLOGR, V37, P678

[48] COSMIC RAY COMPACTION OF POROUS INTERSTELLAR ICES [J].

Raut, U. ;

Fama, M. ;

Loeffler, M. J. ;

Baragiola, R. A. .

ASTROPHYSICAL JOURNAL, 2008, 687 (02) :1070-1074

[49] The Bending Mode of Water: A Powerful Probe for Hydrogen Bond Structure of Aqueous Systems [J].

Seki, Takakazu ;

Chiang, Kuo-Yang ;

Yu, Chun-Chieh ;

Yu, Xiaoqing ;

Okuno, Masanari ;

Hunger, Johannes ;

Nagata, Yuki ;

Bonn, Mischa .

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020, 11 (19) :8459-8469

[50] Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature [J].

Sellberg, J. A. ;

Huang, C. ;

McQueen, T. A. ;

Loh, N. D. ;

Laksmono, H. ;

Schlesinger, D. ;

Sierra, R. G. ;

Nordlund, D. ;

Hampton, C. Y. ;

Starodub, D. ;

DePonte, D. P. ;

Beye, M. ;

Chen, C. ;

Martin, A. V. ;

Barty, A. ;

Wikfeldt, K. T. ;

Weiss, T. M. ;

Caronna, C. ;

Feldkamp, J. ;

Skinner, L. B. ;

Seibert, M. M. ;

Messerschmidt, M. ;

Williams, G. J. ;

Boutet, S. ;

Pettersson, L. G. M. ;

Bogan, M. J. ;

Nilsson, A. .

NATURE, 2014, 510 (7505) :381-+

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