阳离子对相邻极性分子偶极矩的影响
The influence of cations on the dipole moments of neighboring polar molecules
摘要：
它示出的极性（水，甲醇，甲酰胺，丙酮和乙腈）分子在附近的阳离子的偶极矩增加主要是由从裸的阳离子的静电荷的极化，虽然后者的有效值是有点减少由“回捐赠”的电子从相邻的极性分子。换句话说，经典图像可以被看作是一个比阳离子的标称电荷稍小的点电荷将被放置在阳离子位点。发现极性分子在第一溶剂化壳层中的几何排列使得它们的相互极化降低了单个分子的偶极矩，使得在某些情况下它们变得小于自由质子或非质子分子的偶极矩。我们推测，这种行为本质上是一种表现的勒夏特里耶-布劳恩原则。
英文摘要：
It is shown that the dipole moment of polar (water, methanol, formamide, acetone and acetonitrile) molecules in the neighborhood of a cation is increased primarily by polarization from the bare electrostatic charge of the cation, although the effective value of the latter is somewhat reduced by "back donation" of electrons from neighbouring polar molecules. In other words, the classical picture may be viewed as if a point charge slightly smaller than the nominal charge of the cation would be placed at the cation site. It was found that the geometrical arrangement of the polar molecules in the first solvation shell is such that their mutual polarization reduces the dipole moments of individual molecules, so that in some cases they become smaller than the dipole moment of the free protic or aprotic molecule. We conjecture that this behavior is essentially a manifestation of the Le Chatellier-Braun principle.
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