An investigation of conformations in 2,4-dichloropentanes
Abstract
The conformational aspects of racemic and meso 2,4-dichloropentane have been investigated using Extended Huckel Theory (EHT), under reasonable constraints, and data from proton magnetic resonance (PMR) spectra. Detailed EHT calculations indicate that the most stable conformers do not occur at purely staggered positions, but instead deviate from these by amounts in the range 10°-30°. The results have been shown to agree with conclusions of Sykora based upon a different method. To a limited extent the values of HH coupling parameters in these molecules were shown to be consistent with the above conclusions.
- Publication:
-
Journal of Molecular Spectroscopy
- Pub Date:
- April 1974
- DOI:
- 10.1016/0022-2852(74)90167-2
- Bibcode:
- 1974JMoSp..51...27B