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Title:LARGE OLIGOMERS STABILIZED BY WHB NETWORKS: PENTAMERS OF DIFLUOROMETHANE AND ITS WATER CLUSTERS
Author(s):Cocinero, Emilio J.
Contributor(s):Pate, Brooks; Cacelli, Ivo; Prampolini, Giacomo; Calabrese, Camilla; Evangelisti, Luca; Uriarte, Iciar
Subject(s):Instrument/Technique Demonstration
Abstract:\begin{wrapfigure}{l}{0pt}_x000d_ \includegraphics[scale=0.55]{Gráfico1.eps} _x000d_ \end{wrapfigure}_x000d_ _x000d_ Microwave spectroscopy has been restricted to the investigation of small molecules in the last years. However, with the advent of FTMW and CP-FTMW spectroscopies coupled with laser vaporization techniques it has turned into a very competitive methodology in the studies of moderate-size molecules. In particular, the studies of relatively large molecular aggregates\footnote{T. Tang, Y. Xu, A. R. W. McKellar and W. J\"{a}ger, \textit{Science} \textbf{29}, 297, 2002.}$^{,}$\footnote{C. P\'{e}rez, M. T. Muckle, D. P. Zaleski, N. A. Seifert, B. Temelso, G. H. Shields, Z. Kisiel and B. H. Pate, \textit{Science} \textbf{336}, 897, 2012.} are very interesting, being a bridge between microsystems and molecular bulk._x000d_ _x000d_ Here, we present the study of two pentarmers of difluoromethane \chem{(CH_2F_2)_5} and the water clusters \chem{(CH_2F_2)_1}···\chem{(H_2O)_2}, \chem{(CH_2F_2)_2}···\chem{(H_2O)_1} and \chem{(CH_2F_2)_2}···\chem{(H_2O)_2} stabilized by weak hydrogen bonds networks (O-H···F, C-H···F and C-H···O interactions). The experiments were carried out in the CP-FTMW spectrometers of Bilbao (Spain)\footnote{I. Uriarte, C. P\'{e}rez, E. Caballero-Mancebo, F. J. Basterretxea, A. Lesarri, J. A. Fern\'{a}ndez and E. J. Cocinero \textit{Chem. Eur. J. } in press, 2017.} and Virginia (USA). In addition, the experimental work was supported by theoretical calculations. The force fields were specifically parameterized for reproduce others oligomers where WHB interactions play a crucial role.
Issue Date:6/20/2017
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/97049
DOI:10.15278/isms.2017.TH04
Date Available in IDEALS:2017-07-27


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