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 Title: Cyclohexane Vibrations: High Resolution Spectra And Anharmonic Local Mode Calculations Author(s): Bernath, Peter F. Contributor(s): Sibert, Edwin Subject(s): Rotational structure/frequencies Abstract: High resolution infrared absorption spectra of cyclohexane (C$_6$H$_{12}$) have been recorded from 1100 to 4000 cm$^{-1}$ at room temperature and 241 K. Cyclohexane is an oblate symmetric top with $D_{3d}$ symmetry. A rotational analysis was obtained for the $\nu_{27}$ (e$_{\rm{u}}$) and $\nu_{14}$ (a$_{\rm{2u}}$) CH$_2$ scissor modes at 1452.9 cm$^{-1}$ and 1456.4 cm$^{-1}$, respectively. Several combination modes were also assigned and rotationally analyzed. The C-H stretching modes are perturbed by overtone and combination modes of the CH$_2$ scissor vibrations, and an anharmonic local mode calculation was needed to interpret the spectra. The 4 main strong allowed C-H stretching modes appear as two e$_{\rm{u}}$ a$_{\rm{2u}}$ pairs near at 2862 cm$^{-1}$ and 2933 cm$^{-1}$. The Fermi-resonance local mode model coupling terms give physical insight into the effects that organize the cyclohexane vibrational energy levels. The unstrained cyclohexane molecule is a useful paradigm for six-membered rings in larger chemical and biological systems. Issue Date: 2021-06-24 Publisher: International Symposium on Molecular Spectroscopy Genre: Conference Paper / Presentation Type: Text Language: English URI: http://hdl.handle.net/2142/111115 Date Available in IDEALS: 2021-09-24
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