NMR investigation of the structures of 2,4-disubstituted pentanes
1965; Elsevier BV; Volume: 15; Issue: 2 Linguagem: Inglês
10.1016/0022-2852(65)90035-4
ISSN1096-083X
AutoresPaul E. McMahon, Wayne Coleman Tincher,
Tópico(s)Molecular spectroscopy and chirality
ResumoHigh resolution NMR spectra of both meso and racemic 2,4-dichloro-, dibrom-, dicyano-, and dihydroxypentanes have been obtained and analyzed. The general type of spectrum observed is sufficient to identify the meso and racemic isomers. Observed differences in the coupling constants between the methinyl and methenyl protons have also provided experimental evaluation of the energy differences between the two predicted low energy rotational isomers of the racemic 2,4-dichloro-, dibromo-, and dicyanopentanes. These experimental energy differences are in good agreement with energy differences calculated assuming Lennard-Jones (6–12) type interactions between nonbonded atoms.
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