Files in this item

FilesDescriptionFormat

application/vnd.openxmlformats-officedocument.presentationml.presentation

application/vnd.openxmlformats-officedocument.presentationml.presentation302041.pptx (5MB)
PresentationMicrosoft PowerPoint 2007

application/pdf

application/pdf823.pdf (67kB)
AbstractPDF

Description

Title:RING PUCKERING POTENTIALS OF THREE FLUORINATED CYCLOPENTENES: C5F8, C5HF7, and C5H2F6
Author(s):Arsenault, E. A.
Contributor(s):Laane, Jaan; Ocola, Esther J; Cooke, S. A.; Choi, Yoon Jeong; Pringle, Wallace C.; Long, B. E.
Subject(s):Structure determination
Abstract:begin{wrapfigure}{r}{0pt} includegraphics[scale=0.4]{isms.eps} end{wrapfigure} A systematic study on the ring puckering potentials of three fluorinated cyclopentenes has been performed using Fourier transform microwave spectroscopy in tandem with quantum chemical calculations. Spectra between 8 GHz and 16 GHz have been measured for octafluorocyclopentene, 1H-heptafluorocyclopentene, and 1H,2H-hexafluorocyclopentene, where the hydrogens sequentially replace the fluorines on the sp$^2$ hybridized carbons. Rotational constants and centrifugal distortion constants have been determined for the parent species and all $^{13}$C isotopologues. In regards to the ring puckering, double minimum potential, both cross state and intra-state transitions were observed for all molecules except the 1H,2H-hexafluorocyclopentene. Experimental Coriolis coupling constants and $Delta$E$_{01}$ values will be presented and discussed. The ring puckering barrier heights for chem{C_5F_8}, chem{C_5HF_7}, and chem{C_5H_2F_6}, have been calculated to be 222 wn, 302 wn, and 367 wn, respectively.
Issue Date:22-Jun-15
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:ACS
Genre:CONFERENCE PAPER/PRESENTATION
Type:Text
Language:English
URI:http://hdl.handle.net/2142/79217
Date Available in IDEALS:2016-01-05


This item appears in the following Collection(s)

Item Statistics