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题名: Negative Ion Photoelectron Spectroscopy Reveals Thermodynamic Advantage of Organic Acids in Facilitating Formation of Bisulfate Ion Clusters: Atmospheric Implications
作者: Hou, Gao-Lei1, 2;  Lin, Wei3;  Deng, S. H. M.2;  Zhang, Jian2;  Zheng, Wei-Jun1;  Paesani, Francesco3;  Wang, Xue-Bin2
刊名: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
发表日期: 2013-03-07
DOI: 10.1021/jz400108y
卷: 4, 期:5, 页:779-785
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Physical ;  Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Science & Technology - Other Topics ;  Materials Science ;  Physics
英文摘要: Recent lab and field measurements have indicated critical roles of organic acids in enhancing new atmospheric aerosol formation. Such findings have stimulated theoretical studies with the aim of understanding the interaction of organic acids with common aerosol nucleation precursors like bisulfate (HSO4-). We report a combined negative ion photoelectron spectroscopic and theoretical investigation of molecular clusters formed by HSO4- with succinic acid (SUA, HO2C(CH2)(2)CO2H), HSO4-(SUA)(n) (n = 0-2), along with HSO4-(H2O) and HSO4-(H2SO4)(n). It is found that one SUA molecule can stabilize HSO4- by ca. 39 kcal/mol, three times the corresponding value that one water molecule is capable of (ca. 13 kcal/mol). Molecular dynamics simulations and quantum chemical calculations reveal the most plausible structures of these clusters and attribute the stability of these clusters to the formation of strong hydrogen bonds. This work provides direct experimental evidence showing significant thermodynamic advantage by involving organic acid molecules to promote formation and growth in bisulfate clusters and aerosols.
关键词[WOS]: AEROSOL NUCLEATION PRECURSORS ;  SULFURIC-ACID ;  DICARBOXYLIC-ACIDS ;  AIR-POLLUTION ;  HETEROGENEOUS REACTIONS ;  TERNARY NUCLEATION ;  MOLECULAR CLUSTERS ;  PARTICLE FORMATION ;  EARTHS ATMOSPHERE ;  ANION CLUSTERS
语种: 英语
WOS记录号: WOS:000316044000014
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/137982
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
2.Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA
3.Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA

Recommended Citation:
Hou, Gao-Lei,Lin, Wei,Deng, S. H. M.,et al. Negative Ion Photoelectron Spectroscopy Reveals Thermodynamic Advantage of Organic Acids in Facilitating Formation of Bisulfate Ion Clusters: Atmospheric Implications[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2013,4(5):779-785.
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