论文标题
质子通过五个成员芳香环系统的嘎嘎声运动
Rattling motion of proton through five membered aromatic ring systems
论文作者
论文摘要
我们通过考虑沿着垂直于环平面的线的一维运动来研究质子（H $^{+} $）通过五个构件的芳环系统的通过。发现（H $^{+} $）从环的一侧到另一侧通过环中心的运动的潜力是对称的双孔，并且建议将这种复合物作为分子嘎嘎作用，可以表现出像环形伞，例如反转。我们的研究揭示了C $ _ {2} $ H $ _ {2} $ P $ _ {3}^{ - } $ - H $ - H $^{+} $，是一个分子嘎嘎声，具有44.277 kcal mol $^{ - 1} $ 44.277 kcal Mol $^{ - 1} $的分子嘎嘎声，并让第三个振动级别的Proton for Proton for Proton for the Proton the Proton the Rougon the Rougon。
We study the passage of proton (H$^{+}$) through different five membered aromatic ring systems by considering one dimensional motion of the proton along a line perpendicular to the plane of the ring. The potential for the motion of (H$^{+}$) from one side of the ring to the other through the center of the ring is found to be a symmetric double well and such complexes are suggested as molecular rattles which can exhibit a ring umbrella like inversion. Our study reveals C$_{2}$H$_{2}$P$_{3}^{-}$ - H$^{+}$ to be a molecular rattle with a barrier height of 44.277 kcal mol$^{-1}$ and exciting it to the third vibrational level makes easy for the proton to go through the ring.
