| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394621 | Computational and Theoretical Chemistry | 2012 | 10 Pages |
Abstract
⺠The trends in amide BDEs are associated with substituents on nitrogen and carbonyl. ⺠Methyl and phenyl substituents on nitrogen result in a substantial BDE decrease on going from primary to tertiary amides. ⺠BDE trends correlate with the NC bond length, nitrogen atomic charge, and second-order stabilization energy estimate.
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Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ilya I. Marochkin, Olga V. Dorofeeva,