The hyperconjugative result of bond stretching in alkenes has been studied with MM4. A low-temperature crystallographic study of l,2-diarylindane[a]indane has been carried out, together with ab initia (MP2/6-31G*) calculations on model systems. The results are well reproduced with a force field designed to explicitly include hyperconjugation (MM4), and they show beyond doubt that hyperconjugative bond elongations exist both in theory and by experiment.
|Original language||English (US)|
|Number of pages||9|
|Journal||Journal of Computational Chemistry|
|State||Published - Apr 1996|
ASJC Scopus subject areas
- Computational Mathematics