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Effect of the Number of Methyl Groups on the Cation Affinity of Oxygen, Nitrogen, and Phosphorus Sites of Lewis Bases
- Source :
- The Journal of Physical Chemistry A. 120:9109-9116
- Publication Year :
- 2016
- Publisher :
- American Chemical Society (ACS), 2016.
-
Abstract
- The effect of number of CH3 groups (n) on the cation (H+, Li+, Na+, Al+, CH3+) affinity, polarizability, and dipole moment of 14 simple molecules was investigated. Linear correlations were observed between the polarizabilities and the number of methyl groups. The variations of the cation affinities and dipole moments with the number of methyl groups (n) were not linear, and a quadratic function was proposed for obtaining a good fit of the experimental data. Also, because the proton affinities (PA), lithium cation affinities (LCA), sodium cation affinities (SCA), aluminum cation affinity (AlCA), and methyl cation affinity (MCA) varied quadratically with polarizabilities (α), a formula of the form [cation affinities] = a + bα + cα2 was proposed. After correction of the PAs, LCAs, SCAs, AlCA, and MCA for the dipole/charge interaction (Eμ), linear relationships were observed between the corrected cation affinities and n or α. The contribution of Eμ to PA and MCA was small (less than 20%), and its contribution...
- Subjects :
- Proton
010405 organic chemistry
Chemistry
Stereochemistry
010402 general chemistry
01 natural sciences
Affinities
0104 chemical sciences
Aluminum Cation
Condensed Matter::Materials Science
Dipole
Crystallography
Polarizability
Physics::Atomic and Molecular Clusters
Molecule
Lewis acids and bases
Physics::Chemical Physics
Physical and Theoretical Chemistry
Lithium Cation
Subjects
Details
- ISSN :
- 15205215 and 10895639
- Volume :
- 120
- Database :
- OpenAIRE
- Journal :
- The Journal of Physical Chemistry A
- Accession number :
- edsair.doi.dedup.....909b6c538beef965f13c1254f772f91e