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Molecular mechanics and dipole moments as a useful combination in conformational analysis of open-chain compounds. Application to α-adamantyl-β-diketones

AuthorsMoreno-Mañas, Marcial; González, A. ; Jaime, Carlos; Marquet, J.; Hernández-Fuentes, I.; Bellanato, Juana
Issue Date1987
PublisherRoyal Society of Chemistry (UK)
CitationJournal of the Chemical Society, Chemical Communications: 1706-1708 (1987)
AbstractMolecular 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.
Identifiersdoi: 10.1039/C39870001706
issn: 0022-4936
Appears in Collections:(CFMAC-IO) Artículos
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