Electrostatic terms in the interaction of chiral molecules
Electrostatic terms in the interaction of chiral molecules
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手性分子相互作用中的静电项
DOI：
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发表时间：
1975
期刊：
影响因子：
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通讯作者：
P. Schipper
中科院分区：
文献类型：
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作者：
D. Craig;P. Schipper
在一个模型中，分子间的相互作用被分析在三个组成部分（i）短程“接触”的相互作用，（ii）色散的相互作用和（iii）静电之间的相互作用永久时刻，注意在本文中的静电条款。歧视（左-左和左-右旋相互作用之间的能量差）发生在耦合分子的几乎自由旋转的极限，并在锁定分子在一个固定的平均相对取向。在自由旋转系统中的静电歧视有一个领先的项在反十七次幂的分离，可以忽略不计。在锁定的情况下，几十到几百焦耳每摩尔的值是可能的，具有现实的力矩值。如果相互作用系统的手性是由晶格上的源的螺旋性或螺旋聚合物决定的，则可能有更大的差别。还提到了假设的系统，其中手征性取决于永磁和电偶极子。
In a model in which molecular interactions are analysed in three components (i) short-range ‘contact’ interactions, (ii) dispersion interactions and (iii) ectrostatic interactions between permanent moments, attention is drawn in this paper to the electrostatic terms. Discrimination (energy difference between laevo-laevo and laevo-dextro interactions) occurs both in the limit of nearly free rotation of the coupled molecules, and in that of locked molecules in a fixed average relative orientation. Electrostatic discrimination in the freely rotating systems has a leading term in the inverse seventeenth power of the separation and can be disregarded. In locked situations values of tens to hundreds of joules per mole are possible with realistic moment values. Where the interacting systems owe their chirality to the helicity of sources on a lattice, or to helical polymers, there may be much larger discriminations. Reference is also made to hypothetical systems in which chirality depends on permanent magnetic and electric dipoles.