We study the passage of proton (H⁺) through different five membered aromatic ring systems by considering one dimensional motion of the proton along a line perpendicular to the plane of the ring. The potential for the motion of (H⁺) from one side of the ring to the other through the center of the ring is found to be symmetric double well and such complexes are suggested as molecular rattles which can exhibit a ring umbrella like inversion. Our study reveals ${\mathrm{C}}_2{\mathrm{H}}_2{\mathrm{P}}_3^{-}-{\mathrm{H}}^{+}$ to be a molecular rattle with a barrier height of 1.91 eV and exciting it to the third vibrational level leads to an oscillation of proton through the ring.

中文翻译：

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质子通过五元芳族环系统的棘轮运动

我们通过考虑质子沿着垂直于环平面的线的一维运动来研究质子（H ⁺）通过不同的五元芳族环系统的通道。发现（H ⁺）从环的一侧到环的另一侧通过环的中心运动的势能是对称的双阱，这种复合物被认为是分子摇铃，可以表现出类似反演的环伞。我们的研究表明${\mathrm{C}}_2{\mathrm{H}}_2{\mathrm{P}}_3^{--}--{\mathrm{H}}^{+}$ 成为具有1.91 eV势垒高度的分子拨浪鼓并将其激发到第三振动水平会导致质子通过环的振荡。