Strong hydrogen bonding between atmospheric nucleation precursors and common organics

被引：180

作者：

Nadykto, Alexey B. ^{[1
]}

Yu, Fangqun ^{[1
]}

机构：

[1] SUNY Albany, Atmospher Sci Res Ctr, Albany, NY 12203 USA

来源：

CHEMICAL PHYSICS LETTERS | 2007年 / 435卷 / 1-3期

基金：

美国国家科学基金会; 美国海洋和大气管理局;

关键词：

D O I：

10.1016/j.cplett.2006.12.050

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：

While atmospheric aerosols are known to contain a significant fraction of organic substances, the influence of organics on the formation of H2SO4-H2O clusters and subsequent nucleation in the atmosphere is poorly understood. In the present Letter, bonding among formic and acetic acids, sulfuric acid, ammonia and water is studied using density functional theory at PW91PW91/6-311++G(3df,3pd) level. The stabilizing effect of formic and acetic acids is found to be close that of ammonia that indicates that the common organic substances may efficiently stabilize small H2SO4--H2O clusters and their involvement, alongside with or without ammonia, in the atmospheric nucleation should be studied further. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：14 / 18

页数：5

共 30 条

[11] Measurement of prenucleation molecular clusters in the NH3, H2SO4, H2O system -: art. no. 4158 [J].

Hanson, DR ;

Eisele, FL .

JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES, 2002, 107 (D12)

[12] Diffusion of H2SO4 in humidified nitrogen:: Hydrated H2SO4 [J].

Hanson, DR ;

Eisele, F .

JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (08) :1715-1719

[13] A density functional theory study of the hydrates of NH3•H2SO4 and its implications for the formation of new atmospheric particles [J].

Ianni, JC ;

Bandy, AR .

JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (15) :2801-2811

[14] A theoretical study of the hydrates of (H2SO4)2 and its implications for the formation of new atmospheric particles [J].

Ianni, JC ;

Bandy, AR .

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 497 :19-37

[15] Nanometer-sized particle formation from NH3/SO2/H2O/air mixtures by ionizing irradiation [J].

Kim, TO ;

Ishida, T ;

Adachi, M ;

Okuyama, K ;

Seinfeld, JH .

AEROSOL SCIENCE AND TECHNOLOGY, 1998, 29 (02) :111-125

[16] Nanoparticle emissions on Minnesota highways [J].

Kittelson, DB ;

Watts, WF ;

Johnson, JP .

ATMOSPHERIC ENVIRONMENT, 2004, 38 (01) :9-19

[17] How particles nucleate and grow [J].

Kulmala, M .

SCIENCE, 2003, 302 (5647) :1000-1001

[18] Ab initio benchmark study of (2-pyridone)2, a strongly bound doubly hydrogen-bonded dimer [J].

Müller, A ;

Losada, M ;

Leutwyler, S .

JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (01) :157-165

[19]

Napari I, 2002, J GEOPHYS RES-ATMOS, V107, DOI 10.1029/2002JD002132

[20] Marine aerosol formation from biogenic iodine emissions [J].

O'Dowd, CD ;

Jimenez, JL ;

Bahreini, R ;

Flagan, RC ;

Seinfeld, JH ;

Hämeri, K ;

Pirjola, L ;

Kulmala, M ;

Jennings, SG ;

Hoffmann, T .

NATURE, 2002, 417 (6889) :632-636

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