TY - JOUR
T1 - Molecular mechanics and dipole moments as a useful combination in conformational analysis of open-chain compounds. Application to α-adamantyl-β-diketones
AU - Moreno-Mañas, Marcial
AU - González, Asensio
AU - Jaime, Carlos
AU - Marquet, Jorge
AU - Hernández-Fuentes, Irmina
AU - Salom, Catalina
AU - Bellanato, Juana
PY - 1987/12/1
Y1 - 1987/12/1
N2 - 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.
AB - 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.
U2 - 10.1039/C39870001706
DO - 10.1039/C39870001706
M3 - Article
SN - 0022-4936
SP - 1706
EP - 1708
JO - Journal of the Chemical Society D: Chemical Communications
JF - Journal of the Chemical Society D: Chemical Communications
IS - 22
ER -