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Electron pair dimensions and the foundations of chemistry

What are the dimensions of the electron pairs described by the localized MOs Well, but how to define such dimensions All orbitals extend to infinity, so you cannot measure them easily, but some may be more diffuse than others. It also depends on the molecule itself, the role of a given MO in the molecular electronic structure (the bonding orbital, lone electron pair or the inner shell), the influence [Pg.404]

The periodicity of chemical elements discovered by Mendeleev is another fundamental idea of chemistry. It has its source in the shell structure of atoms. Following on, we can say that the compounds of sulphur with hydrogen should be [Pg.405]

Electronic Motion in the Mean Field Atoms and Molecules [Pg.406]

The dimension of the electron pair of the I5 orbital of the carbon atom (core C) for CH3OH is very similar to that of the corresponding orbital for CH3SH (0.353 vs 0.357). This means that the influence of the S atom (as compared to the oxygen atom) on the li orbital of the neighbouring atom is small. The local character of the interactions is thus the most decisive. [Pg.406]

The influence of the S and O atoms on the CH bonds of the methyl group is only slightly larger. For example, in CH3OH one of the CH bond localized orbital has the dimension of 1.576 a.u., while in CH3SH 1.606 a.u. [Pg.406]


Localization in Practice-Computational Technique The Chemical Bonds of cr, n, S Symmetry Electron Pair Dimensions and the Foundations of Chemistry Hybridization or Mixing One-Center AOs... [Pg.390]


See other pages where Electron pair dimensions and the foundations of chemistry is mentioned: [Pg.475]    [Pg.325]    [Pg.404]    [Pg.475]    [Pg.475]    [Pg.325]    [Pg.404]    [Pg.475]   


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