Published December 1984
| Version v1
Journal article
Reduced partition function ratios of isotopic molecules on a quantum chemical basis. 6
Creators
- 1. Akademie der Wissenschaften der DDR, Leipzig. Forschungsstelle fuer Chemische Toxikologie
Description
The reduced partition ratios of H/D and 12C/13C substitutions of pentane, cyclohexane, and cyclohexene are compared with those of the corresponding radical cations on the basis of graphs of their temperature dependence. The values for the radical cations are generally lower than those for neutral molecules and, in some cases, show a more pronounced structure-related differentiation
Additional details
Additional titles
- Subtitle (English)
- MINDO/3 molecular orbital calculations of radical cations
- Original title (German)
- Reduzierte Zustandssummenverhaeltnisse isotoper Molekuele auf quantenchemischer Grundlage. 6
- Original subtitle (German)
- MINDO/3-MO-Berechnungen von Radikalkationen.
Publishing Information
- Journal Title
- Isotopenpraxis
- Journal Volume
- 20
- Journal Issue
- 12
- Series
- Isotopenpraxis.
- Journal Page Range
- 440-442
- ISSN
- 0021-1915
INIS
- Country of Publication
- Germany
- Country of Input or Organization
- German Democratic Republic
- INIS RN
- 16009475
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ALKYL RADICALS; CARBON 12; CARBON 13; CYCLOALKENES; CYCLOHEXANE; DEUTERIUM; HYDROGEN 1; ISOTOPE EFFECTS; ISOTOPIC EXCHANGE; MOLECULAR ORBITAL METHOD; PARTITION FUNCTIONS; PENTANE
- Descriptors DEC
- ALKANES; ALKENES; CARBON ISOTOPES; CYCLOALKANES; EVEN-EVEN NUCLEI; EVEN-ODD NUCLEI; FUNCTIONS; HYDROCARBONS; HYDROGEN ISOTOPES; ISOTOPES; LIGHT NUCLEI; NUCLEI; ODD-EVEN NUCLEI; ODD-ODD NUCLEI; ORGANIC COMPOUNDS; RADICALS; STABLE ISOTOPES