Nature of chemical bonds in MCCH (M = Li, Na, K) based on the topological analysis of electron localisation function (ELF) and electron density

Krzysztof Mierzwicki; Slawomir Berski; Zdzislaw Latajka

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Nature of chemical bonds in MCCH (M = Li, Na, K) based on the topological analysis of electron localisation function (ELF) and electron density

机译：基于电子定位函数（ELF）和电子密度的拓扑分析，MCCH（M = Li，Na，K）中化学键的性质

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Topological analysis of the electron localisation function (ELF) and the theory of atoms in molecules are applied to analyse the nature of bonds in MCCH (M = Li, Na, K) molecules. The substitution of hydrogen by akali metal leads to a transfer of about one electron form M to C_1C_2H and all alkali metla acetylides may be described by the M~+[C_1C_2H]~- formula. This means that the bonding between carbon and metal is mainly of ionic nature. One can explain the observed differencein propertie of organosodium compounds by rather high electronegativity of sodium according to the Allred-Rochow scale.

机译：电子定位功能（ELF）的拓扑分析和分子中的原子理论被用于分析MCCH（M = Li，Na，K）分子中键的性质。碱性金属对氢的取代导致约一个电子形式的M转移至C_1C_2H，并且所有碱金属甲乙炔化物都可以用M〜+ [C_1C_2H]〜-式描述。这意味着碳和金属之间的键主要是离子性质的。根据Allred-Rochow量表，可以通过相当高的钠电负性来解释观察到的有机钠化合物特性差异。

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《Chemical Physics Letters》 |2000年第6期|共9页
作者
Krzysztof Mierzwicki; Slawomir Berski; Zdzislaw Latajka;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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1. Nature of chemical bonds in MCCH (M = Li, Na, K) based on the topological analysis of electron localisation function (ELF) and electron density [J] . Mierzwicki K., Latajka Z., Berski S. Chemical Physics Letters . 2000,第5a6期

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7. How many electrons form chemical bonds in the NgBeS (Ng = Ar, Kr, Xe) molecules? Topological study using the electron localisation function (ELF) and electron localisability indicator (ELI-D) [O] . 2016

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Nature of chemical bonds in MCCH (M = Li, Na, K) based on the topological analysis of electron localisation function (ELF) and electron density

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