用包含路易斯八隅体规则的“奇偶”规则计算单键离子的化学结构式:在主族元素的亚价离子和高价离子中单电荷和电子对位置的应用

G. Auvert
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引用次数: 11

摘要

刘易斯开发了分子的二维表示,带电或不带电,被称为结构式,并陈述了绘制它的标准。当时,绝大多数已知的分子都遵循八隅体规则,这是刘易斯的标准之一。然而,同样的方法很快被应用于表示不遵循八元规则的化合物,即某些组成原子在其价电子层中具有大于或小于8个电子的化合物。在之前的一篇论文中,提出了一个奇偶规则,并证明它适用于两种类型的不带电分子。本文扩展了奇偶规则,目的是将所有的单键离子都包含在一个基团中:路易斯离子、低价离子和高价离子。奇偶表示的基与刘易斯图是相容的。此外,每个原子都标上一个偶数,通过将价数、元素的共价键数和它的电荷相加计算得出。本文描述了如何计算后一个数,以及在此过程中如何精确定位电荷和电子对。使用已知与刘易斯八定律相容的离子,将奇偶规则与前者进行比较。奇偶规则适用于被称为低价或高价的离子。所提出的规则的一个有趣的副作用是,电荷和电子对被明确地分配给构成单电荷离子的一个原子。遵循八隅体规则的离子和不遵循八隅体规则的离子,由于没有不成对的电子,因此在一个称为“电子对离子”的基团中调和。未来的一篇论文将重点研究奇偶规则与具有多个键的分子或离子之间的联系。
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Chemical Structural Formulas of Single-Bonded Ions Using the “Even-Odd” Rule Encompassing Lewis’s Octet Rule: Application to Position of Single-Charge and Electron-Pairs in Hypo- and Hyper-Valent Ions with Main Group Elements
Lewis developed a 2D-representation of molecules, charged or uncharged, known as structural formula, and stated the criteria to draw it. At the time, the vast majority of known molecules followed the octet-rule, one of Lewis’s criteria. The same method was however rapidly applied to represent compounds that do not follow the octet-rule, i.e. compounds for which some of the composing atoms have greater or less than eight electrons in their valence shell. In a previous paper, an even-odd rule was proposed and shown to apply to both types of uncharged molecules. In the present paper, the even-odd rule is extended with the objective to encompass all single-bonded ions in one group: Lewis’s ions, hypo- and hypervalent ions. The base of the even-odd representation is compatible with Lewis’s diagram. Additionally, each atom is subscripted with an even number calculated by adding the valence number, the number of covalent bonds of the element, and its electrical charge. This paper describes how to calculate the latter number and in doing so, how charge and electron-pairs can actually be precisely localized. Using ions known to be compatible with Lewis’s rule of eight, the even-odd rule is compared with the former. The even-odd rule is then applied to ions known as hypo- or hypervalent. An interesting side effect of the presented rule is that charge and electron-pairs are unambiguously assigned to one of the atoms composing the single-charged ion. Ions that follow the octet rule and ions that do not, are thus reconciled in one group called “electron-paired ions” due to the absence of unpaired electrons. A future paper will focus on the connection between the even-odd rule and molecules or ions having multiple bonds.
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