| DOI | Resolve DOI: https://doi.org/10.1021/ja00456a006 |
|---|
| Author | Search for: Lunazzi, L.; Search for: Macciantelli, D.; Search for: Bernardi, F.; Search for: Ingold, K. U.1 |
|---|
| Affiliation | - National Research Council of Canada
|
|---|
| Format | Text, Article |
|---|
| Abstract | The 90.5-MHz 13C NMR spectrum of 2,3-dimethylbutane at -180°C shows that the gauche and anti rotational isomers are present in the statistical ratio of 2:1. Line shape analysis of the methine signals gives a free energy of activation of 4.3 ± 0.2 kcal/mol for the anti-gauche interconversion. These results are supported by ab initio SCF-MO calculations which reproduce the anti-gauche rotational barrier and predict that the gauche-gauche barrier would be ca. 8 kcal/mol. Accordingly a direct gauche-gauche interconversion can be ruled out and the gauche rotamers must interchange via the anti rotamer. |
|---|
| Publication date | 1977 |
|---|
| In | |
|---|
| Language | English |
|---|
| Peer reviewed | Yes |
|---|
| NPARC number | 21276573 |
|---|
| Export citation | Export as RIS |
|---|
| Report a correction | Report a correction (opens in a new tab) |
|---|
| Record identifier | 064bf47e-829d-4fa5-a540-421e96f5611e |
|---|
| Record created | 2015-10-13 |
|---|
| Record modified | 2020-03-13 |
|---|
