Electronic Structure of Branched Hydrocarbons in the Framework of Quantum Theory of Atoms in Molecules: iso- and tert-Alkanes
| Autor: | E. M. Chernova, Yu. D. Orlov, Vladimir V. Turovtsev |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
chemistry.chemical_classification
Steric effects Electron density Atoms in molecules 02 engineering and technology Electronic structure Electron 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Hydrocarbon chemistry Chain (algebraic topology) Quantum mechanics Molecule Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | Russian Journal of Physical Chemistry B. 12:965-969 |
| ISSN: | 1990-7923 1990-7931 |
| DOI: | 10.1134/s1990793118060040 |
| Popis: | The distribution of electron densities of the symmetrical branched alkanes of the types (CH3(CH2)n)3CH and (CH3(CH2)n)4C is studied using the quantum theory of atoms in molecules. The integral electronic characteristics of standard CH and C groups are defined. The distance of the induction of the influence of CH and C groups in a C–C branched chain in alkanes is established, and the steric effect of the hydrocarbon substituents is considered. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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