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• W2056514045 endingPage "3628" @default.
• W2056514045 startingPage "3625" @default.
• W2056514045 abstract "We present experimental and theoretical findings on the geometry of polycrystalline para hexaphenyl via Raman scattering. The planarity of the molecule is affected by hydrostatic pressure and temperature. Our studies indicate that the potential energy curve which governs the torsional motion between neighboring phenyl rings is ``W'' shaped. We determine the activation energy to promote the molecule from a nonplanar to a planar state to be 0.04 eV, in good agreement with our quantum chemical calculations. From the relative intensities of the $1280{mathrm{cm}}^{ensuremath{-}1}$ to the $1220{mathrm{cm}}^{ensuremath{-}1}$ Raman modes we show that high pressure planarizes the molecules, modifying the ``W''-shaped potential energy curve to a ``U''-shaped one." @default.
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• W2056514045 date "1999-05-03" @default.
• W2056514045 modified "2023-10-10" @default.
• W2056514045 title "Planarity of<i>para</i>Hexaphenyl" @default.
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• W2056514045 doi "https://doi.org/10.1103/physrevlett.82.3625" @default.
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