Formation of H2SO4 from SO3 and H2O, catalysed in water clusters

被引：19

作者：

Akhmatskaya, EV ^{[1
]}

Apps, CJ ^{[1
]}

Hillier, IH ^{[1
]}

Masters, AJ ^{[1
]}

Watt, NE ^{[1
]}

Whitehead, JC ^{[1
]}

机构：

[1] UNIV MANCHESTER, DEPT CHEM, MANCHESTER M13 9PL, LANCS, ENGLAND

来源：

CHEMICAL COMMUNICATIONS | 1997年 / 07期

关键词：

D O I：

10.1039/a700802c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Computer simulations predict the facile conversion of SO3 to H2SO4 in small water clusters having in excess of about twelve solvent molecules, in line with experiment.

引用

页码：707 / 707

页数：1

共 5 条

[1] Adsorption of NxOy-based molecules on large water clusters: An experimental and theoretical study
Ahmed, M
Apps, CJ
Buesnel, R
Hughes, C
Hillier, IH
Watt, NE
Whitehead, JC
[J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (07) : 1254 - 1259
[2] Adsorption of organic molecules on large water clusters
Ahmed, M
Apps, CJ
Hughes, C
Watt, NE
Whitehead, JC
[J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (07) : 1250 - 1253
[3] DETERMINING ATOM-CENTERED MONOPOLES FROM MOLECULAR ELECTROSTATIC POTENTIALS - THE NEED FOR HIGH SAMPLING DENSITY IN FORMAMIDE CONFORMATIONAL-ANALYSIS
BRENEMAN, CM
WIBERG, KB
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (03) : 361 - 373
[4] REACTION OF SO3 WITH WATER CLUSTERS AND THE FORMATION OF H2SO4
HOFMANNSIEVERT, R
CASTLEMAN, AW
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (15) : 3329 - 3333
[5] AB-INITIO MOLECULAR-ORBITAL STUDY OF THE MECHANISM OF THE GAS-PHASE REACTION SO3+H2O - IMPORTANCE OF THE 2ND WATER MOLECULE
MOROKUMA, K
MUGURUMA, C
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (22) : 10316 - 10317

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