High-resolution soft X-ray photoelectron spectroscopy of liquid water

被引：73

作者：

Nishizawa, Kiyoshi ^{[1
]}

Kurahashi, Naoya ^{[1
,2
]}

Sekiguchi, Kentarou ^{[1
,2
,3
]}

Mizuno, Tomoya ^{[1
]}

Ogi, Yoshihiro ^{[1
]}

Horio, Takuya ^{[1
,2
,3
]}

Oura, Masaki ^{[4
]}

Kosugi, Nobuhiro ^{[1
,5
]}

Suzuki, Toshinori ^{[1
,2
,3
]}

机构：

[1] RIKEN, Adv Sci Inst, Chem Dynam Lab, Wako, Saitama 3510198, Japan

[2] Kyoto Univ, Dept Chem, Grad Sch Sci, Kyoto 6068502, Japan

[3] Japan Sci & Technol Agcy, CREST, Chiyoda Ku, Tokyo 1020075, Japan

[4] RIKEN SPring 8 Ctr, Sayo, Hyogo 6795148, Japan

[5] Natl Inst Nat Sci, Inst Mol Sci, Okazaki, Aichi 4448585, Japan

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2011年 / 13卷 / 02期

关键词：

EMISSION SPECTROSCOPY; SCATTERING; HYDROGEN; STATES; ICE;

D O I：

10.1039/c0cp01636e

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-resolution soft X-ray photoelectron spectra of liquid water (H2O and D2O) were measured using a liquid beam photoelectron spectrometer. The 1a(1) (O1s) band and the lowest valence 1b(1) band had single peaks, which is not consistent with the split 1b(1) -> 1a(1) of the X-ray emission band of liquid water if the splitting is assumed to originate from level shifts in two different hydrogen bonding structures. The second valence 3a(1) band of liquid water exhibited a flat top implying that two bands exist underneath a broad feature, which is similar to the case of the 3a(1) band of amorphous ice. The energy splitting between the two 3a(1) bands is estimated to be 1.38 eV (H2O) and 1.39 eV (D2O). Ab initio calculations suggest that the large splitting of the 3a(1) band is characteristic of water molecules that function as both proton donor and acceptor. The overall result is consistent with the conventional model of a tetrahedral hydrogen-bonding network in liquid water.

引用

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页码：413 / 417

页数：5

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