The asymmetric cage structure of (H2O)7 from a combined spectroscopic and computational study

被引：112

作者：

Brudermann, J

Melzer, M

Buck, U

Kazimirski, JK

Sadlej, J

Bush, V

机构：

[1] Max Planck Inst Stromungsforsch, D-37073 Gottingen, Germany

[2] Ind Chem Res Inst, PL-01793 Warsaw, Poland

[3] Univ Warsaw, Dept Chem, PL-02093 Warsaw, Poland

[4] Hebrew Univ Jerusalem, Fritz Haber Inst Mol Dynam, IL-91904 Jerusalem, Israel

来源：

JOURNAL OF CHEMICAL PHYSICS | 1999年 / 110卷 / 22期

关键词：

D O I：

10.1063/1.479008

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：

The vibrational OH stretch spectra have been measured for the size-selected pure water clusters (H2O)(7). In contrast to (H2O)(n), n = 8-10 clusters, which exhibit three distinct bands corresponding to three distinct types of OH bonds, the heptamer spectrum displays seven bands spanning the range from 2935 to 3720 cm(-1). Calculations suggest that the spectra originate from two isomers, derived from the S-4 octamer cube by removal of either one double donor or one double acceptor water molecule. (C) 1999 American Institute of Physics. [S0021-9606(99)01622-0].

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页码：10649 / 10652

页数：4

相关论文

共 25 条

[1] Simulations of H2O solid, liquid, and clusters, with an emphasis on ferroelectric ordering transition in hexagonal ice [J].

Buch, V ;

Sandler, P ;

Sadlej, J .

JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (44) :8641-8653

[2] TREATMENT OF RIGID BODIES BY DIFFUSION MONTE-CARLO - APPLICATION TO THE PARA-H2...H2O AND ORTHO-H2...H2O CLUSTERS [J].

BUCH, V .

JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (01) :726-729

[3] STRUCTURE AND STRUCTURAL TRANSITIONS OF SIZE-SELECTED CLUSTERS - (CH3CN)(N) AND (CH3OH)(6) [J].

BUCK, U ;

ETTISCHER, I .

FARADAY DISCUSSIONS, 1994, 97 :215-228

[4] ELECTRON-BOMBARDMENT FRAGMENTATION OF AR VAN DER WAALS CLUSTERS BY SCATTERING ANALYSIS [J].

BUCK, U ;

MEYER, H .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (09) :4854-4861

[5] Structure and spectra of three-dimensional (H2O)n clusters, n = 8, 9, 10 [J].

Buck, U ;

Ettischer, I ;

Melzer, M ;

Buch, V ;

Sadlej, J .

PHYSICAL REVIEW LETTERS, 1998, 80 (12) :2578-2581

[6] INFRARED PHOTODISSOCIATION OF SIZE-SELECTED METHANOL CLUSTERS [J].

BUCK, U ;

GU, XJ ;

LAUENSTEIN, C ;

RUDOLPH, A .

JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (10) :6017-6029

[7] STRUCTURE AND DYNAMICS OF SMALL-SIZE SELECTED MOLECULAR CLUSTERS [J].

BUCK, U .

JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (20) :5190-5200

[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[9] MINIMUM STRUCTURES AND DYNAMICS OF SMALL WATER CLUSTERS [J].

FARANTOS, SC ;

KAPETANAKIS, S ;

VEGIRI, A .

JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (47) :12158-12166

[10] Infrared spectrum of a molecular ice cube: The S-4 and D-2d water octamers in benzene-(water)(8) [J].

Gruenloh, CJ ;

Carney, JR ;

Arrington, CA ;

Zwier, TS ;

Fredericks, SY ;

Jordan, KD .

SCIENCE, 1997, 276 (5319) :1678-1681