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首页> 外文期刊>The Journal of Chemical Physics >Hydrogen bonding and dynamics of methanol by high-pressure diamond-anvil cell NMR
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Hydrogen bonding and dynamics of methanol by high-pressure diamond-anvil cell NMR

机译：高压金刚石-砧池NMR的氢键和甲醇动力学

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摘要

Liquid methanol at densities up to rho/rho_0=1.7 was studied by NMR in a specially designed diamond-anvil cell.Methyl and hydroxyl resonances have been separately observed at pressures to 43 kbars which exceeds equilibrium freezing pressure of methanol.The chemical shift difference between methyl and hydroxyl protons increases nonlinearly with increasing density,indicating a noticeable decrease in hydrogen bond length.The analyses of spin-lattice relaxation rates of both hydroxyl and methyl protons indicate that compression enhances intermolecular proton exchange and selectively reduces motion of the hydroxyl protons.Collectively these observations reveal that hydrogen bonding interaction in liquid methanol noticeably increases with compression,inhibiting the liquid-solid transition even above the freezing pressure.
机译：在专门设计的金刚石-砧室中通过NMR研究了密度高达rho / rho_0 = 1.7的液态甲醇。在高于43kbars的压力（超过甲醇的平衡冻结压力）下，分别观察到甲基和羟基共振。甲基和羟基质子随密度的增加而非线性增加，表明氢键长度明显减少。羟基和甲基质子的自旋晶格弛豫速率分析表明，压缩增强了分子间质子交换并选择性地降低了羟基质子的运动。这些观察结果表明，液态甲醇中的氢键相互作用随着压缩而显着增加，甚至在高于冷冻压力时也抑制了液-固转变。

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