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Title:THE H2O-CH3F COMPLEX: A COMBINED MICROWAVE AND INFRARED SPECTROSCOPIC STUDY SUPPORTED BY STRUCTURE CALCULATIONS
Author(s):Arunan, Elangannan
Contributor(s):Pirali, Olivier; Huet, T. R.; Asselin, Pierre; Soulard, Pascale; Georges, Robert; Goubet, Manuel; Gnanasekar, Sharon Priya
Subject(s):Mini-symposium: Accelerator-Based Spectroscopy
Abstract:The H$_{2}$O-CH$_{3}$F complex could have two geometries, one with a hydrogen bond and one with the newly proposed carbon bondfootnote{ Mani, D; Arunan, E. Phys. Chem. Chem. Phys. 2013, 15, 14377.}. While in general carbon bonds are weaker than hydrogen bonds, this complex appears to have comparable energies for the two structures. Infrared (IR) and microwave (MW) spectroscopic measurements using, respectively, the Jet-AILES apparatusfootnote{ Cirtog, M; Asselin, P; Soulard, P; Tremblay, B; Madebene, B; Alikhani, M. E; Georges, R; Moudens, A; Goubet, M; Huet, T.R; Pirali, O; Roy, P. J. Phys. Chem. A. 2011, 115, 2523} and the FTMW spectrometer at the PhLAM laboratoryfootnote{ Kassi, S; Petitprez, D; Wlodarczak, G. J. Mol. Struct. 2000, 517-518, 375}, have been carried out to determine the structure of this complex. The IR spectrum shows the formation of the CH$_{3}$F- H$_{2}$O hydrogen bonded complex and small red-shifts in OH frequency most probably due to (CH$_{3}$F)$_{m}$-(H$_{2}$O)$_{n}$ clusters. Noticeably, addition of CH$_3$F in the mixture promotes the formation of small water clusters. Preliminary MW spectroscopic measurements indicate the formation of the hydrogen bonded complex. So far, we have no experimental evidence for the carbon bonded structure. However, calculations of the Ar-CH$_{3}$F complex show three energetically equivalent structures: a T-shape, a �fluorine� bond and a carbon bond. The MW spectrum of the (Ar)$_{n}$-CH$_{3}$F complexes is currently under analysis.
Issue Date:25-Jun-15
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:ACS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/79421
Date Available in IDEALS:2016-01-05


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