Microsolvation of the acetate anion [CH3CO2-(H2O)n, n=1-3]: A photoelectron spectroscopy and ab initio computational study

被引：17

作者：

Wang, Xue-Bin ^{[1
,2
]}

Jagoda-Cwiklik, Barbara ^{[3
]}

Chi, Chaoxian ^{[4
]}

Xing, Xiao-Peng ^{[1
,2
]}

Zhou, Mingfei ^{[4
]}

Jungwirth, Pavel ^{[5
]}

Wang, Lai-Sheng ^{[1
,2
]}

机构：

[1] Washington State Univ, Dept Phys, Richland, WA 99354 USA

[2] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA

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

[4] Fudan Univ, Dept Chem, Shanghai Key Lab Mol Catalysts & Innovat Mat, Adv Mat Lab, Shanghai 200433, Peoples R China

[5] Acad Sci Czech Republic, Inst Organ Chem & Biochem, Ctr Complex Mol Syst & Biomol, CR-16610 Prague 6, Czech Republic

来源：

CHEMICAL PHYSICS LETTERS | 2009年 / 477卷 / 1-3期

基金：

中国国家自然科学基金;

关键词：

DOUBLY-CHARGED ANION; WATER CLUSTERS; GAS-PHASE; DYNAMICS; SOLVATION; PHOTODETACHMENT; CHEMISTRY; DIANIONS; DISSOCIATION; DISSOLUTION;

D O I：

10.1016/j.cplett.2009.06.074

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：

A combined photoelectron spectroscopy and ab initio theoretical study was carried out to study the microsolvation of the acetate anion. Photoelectron spectra of cold solvated clusters CH3CO2-(H2O)(n) (n = 1-3) at 12 K were obtained and compared with theoretical calculations. The first water is shown to bind to the -CO2- group in a bidentate fashion, whereas both water-water and water-CO2- interactions are shown for n = 2 and 3. Significant rearrangement of the solvation structures is observed upon electron detachment, and water-CH3 interactions are present for all the neutral clusters, CH3CO2( H2O)(n) (n = 1-3). (c) 2009 Elsevier B. V. All rights reserved.

引用

页码：41 / 44

页数：4

共 38 条

[1]

[Anonymous], 2016, GAUSSIAN 16 REV B01

[2] A reassessment of the bond dissociation energies of peroxides. An ab initio study [J].

Bach, RD ;

Ayala, PY ;

Schlegel, HB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1996, 118 (50) :12758-12765

[3] STUDIES OF ALKALINE-EARTH AND TRANSITION-METAL M++ GAS-PHASE ION CHEMISTRY [J].

BLADES, AT ;

JAYAWEERA, P ;

IKONOMOU, MG ;

KEBARLE, P .

JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (10) :5900-5906

[4] Microscopic hydration of the fluoride anion [J].

Cabarcos, OM ;

Weinheimer, CJ ;

Lisy, JM ;

Xantheas, SS .

JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (01) :5-8

[5] Size-dependent charge-separation reaction for hydrated sulfate dianion cluster, SO2-4(H2O)n, with n=3-7 -: art. no. 224302 [J].

Gao, B ;

Liu, ZF .

JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (22)

[6] Is NaI soluble in water clusters? [J].

Gregoire, G ;

Mons, M ;

Dedonder-Lardeux, C ;

Jouvet, C .

EUROPEAN PHYSICAL JOURNAL D, 1998, 1 (01) :5-7

[7] Dynamics of hydrogen bromide dissolution in the ground and excited states [J].

Hurley, SM ;

Dermota, TE ;

Hydutsky, DP ;

Castleman, AW .

SCIENCE, 2002, 298 (5591) :202-204

[8] Molecular structure of salt solutions: A new view of the interface with implications for heterogeneous atmospheric chemistry [J].

Jungwirth, P ;

Tobias, DJ .

JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (43) :10468-10472

[9] DETERMINATION OF ORGANIC-ACIDS (C1-C10) IN THE ATMOSPHERE, MOTOR EXHAUSTS, AND ENGINE OILS [J].

KAWAMURA, K ;

NG, LL ;

KAPLAN, IR .

ENVIRONMENTAL SCIENCE & TECHNOLOGY, 1985, 19 (11) :1082-1086

[10] Electron solvation in finite systems:: Femtosecond dynamics of iodide•(water)n anion clusters [J].

Lehr, L ;

Zanni, MT ;

Frischkorn, C ;

Weinkauf, R ;

Neumark, DM .

SCIENCE, 1999, 284 (5414) :635-638

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