Molecular mechanics and dipole moments as a useful combination in conformational analysis of open-chain compounds. Application to α-adamantyl-β-diketones
- 1 January 1987
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 22,p. 1706-1708
- https://doi.org/10.1039/c39870001706
Abstract
Molecular mechanics calculations predict the preferred conformations for 3-(1-adamantyl)pentane-2,4-dione (1a) and for 4-(1-adamantyl)-2,2,6,6-tetramethylheptane-3,5-dione (1b) and also give dipole moment values for both compounds which are in good agreement with the measured values.Keywords
This publication has 0 references indexed in Scilit: