The facile decomposition of chlorine nitrate in small water clusters

被引：20

作者：

McNamara, JP ^{[1
]}

Tresadern, G ^{[1
]}

Hillier, IH ^{[1
]}

机构：

[1] Univ Manchester, Dept Chem, Manchester M13 9PL, Lancs, England

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 310卷 / 3-4期

基金：

英国工程与自然科学研究理事会;

关键词：

D O I：

10.1016/S0009-2614(99)00762-9

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-level electronic structure calculations show that chlorine nitrate is readily hydrolysed in a cluster of six water molecules to yield HOCl/NO3-/H3O+, and readily reacts with HCL in a cluster of two water molecules to yield Cl2/HNo3. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：265 / 270

页数：6

共 15 条

[1] Ionisation and solvation of stratospherically relevant molecules on ice films [J].

Banham, SF ;

Horn, AB ;

Koch, TG ;

Sodeau, JR .

FARADAY DISCUSSIONS, 1995, 100 :321-332

[2] A theory of water and ionic solution, with particular reference to hydrogen and hydroxyl ions [J].

Bernal, JD ;

Fowler, RH .

JOURNAL OF CHEMICAL PHYSICS, 1933, 1 (08) :515-548

[3] Structure of the ice nanocrystal surface from simulated versus experimental spectra of adsorbed CF4 [J].

Buch, V ;

Delzeit, L ;

Blackledge, C ;

Devlin, JP .

JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (09) :3732-3744

[4] NITRIC-ACID CLOUD FORMATION IN THE COLD ANTARCTIC STRATOSPHERE - A MAJOR CAUSE FOR THE SPRINGTIME OZONE HOLE [J].

CRUTZEN, PJ ;

ARNOLD, F .

NATURE, 1986, 324 (6098) :651-655

[5] A PROPOSED ANTIFERROELECTRIC STRUCTURE FOR PROTON ORDERED ICE IH [J].

DAVIDSON, ER ;

MOROKUMA, K .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3741-3742

[6]

Frisch M.J., 1998, GAUSSIAN98 REVISION

[7]

FRISCH MJ, 1995, GAUSSIAN94 REVISION

[8] REACTIVITY OF CLONO2 ON (H2O)-O-18 ICE AND ORGANIC LIQUIDS [J].

HANSON, DR .

JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (35) :13059-13061

[9] Mechanism of the heterogeneous reaction of hydrogen chloride with chlorine nitrate and hypochlorous acid on water ice [J].

Horn, AB ;

Sodeau, JR ;

Roddis, TB ;

Williams, NA .

JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (30) :6107-6120

[10] Low temperature reaction of chlorine nitrate with water ice - Formation of molecular nitric acid [J].

Horn, AB ;

Sodeau, JR ;

Roddis, TB ;

Williams, NA .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1998, 94 (12) :1721-1724

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