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Experimental and theoretical characterization of adsorbed water on self-assembled monolayers: Understanding the interaction of water with atmospherically relevant surfaces
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SYSNO ASEP 0324729 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Experimental and theoretical characterization of adsorbed water on self-assembled monolayers: Understanding the interaction of water with atmospherically relevant surfaces Title Experimentální a teoretická charakterizace adsorbované vody na samouspořádaných monovrstvách: Porozumění interakci vody s atmosféricky relevantními povrchy Author(s) Moussa, S. G. (US)
McIntire, T. M. (US)
Szöri, Milan (UOCHB-X)
Roeselová, Martina (UOCHB-X) RID
Tobias, D. J. (US)
Grimm, R. L. (US)
Hemminger, J. C. (US)
Finlayson-Pitts, B. J. (US)Number of authors 8 Source Title Journal of Physical Chemistry A. - : American Chemical Society - ISSN 1089-5639
Roč. 113, č. 10 (2009), s. 2060-2069Number of pages 10 s. Language eng - English Country US - United States Keywords molecular dynamics ; hydrophobic ; hydrophilic Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA203/06/1488 GA ČR - Czech Science Foundation (CSF) LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) 1P05ME798 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000263974800021 DOI 10.1021/jp808710n Annotation A combination of experiments and molecular dynamic simulations has been applied to elucidate the nature of water on organic self-assembled monolayers (SAMs) before and after oxidation. SAMs mimic organics adsorbed on environmental urban surfaces. Water on SAM surfaces was measured at equilibrium as a function of relative humidity, using transmission Fourier transform infrared (FTIR) spectroscopy at 1 atm and 22 +/- 1 °C. The SAMs included C18 and C8 alkanes, as well as the C8 terminal alkene before and after oxidation with either KMnO4 solution or gaseous O3. MD simulations with hydrogen bond analysis were used to elucidate the structure of water on SAM surfaces. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Year of Publishing 2009
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