RING PUCKERING POTENTIALS OF THREE FLUORINATED CYCLOPENTENES: C5F8, C5HF7, and C5H2F6

Arsenault, E.A.

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https://hdl.handle.net/2142/79217 Copy

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.

Issue Date

22-Jun-15

Keyword(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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

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http://hdl.handle.net/2142/79217

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