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

Marcial Moreno-Mañas, Asensio González, Carlos Jaime, Jorge Marquet, Irmina Hernández-Fuentes, Catalina Salom, Juana Bellanato

Research output: Contribution to journalArticleResearchpeer-review

6 Citations (Scopus)

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.
Original languageEnglish
Pages (from-to)1706-1708
JournalJournal of the Chemical Society, Chemical Communications
Issue number22
DOIs
Publication statusPublished - 1 Dec 1987

Fingerprint Dive into the research topics of 'Molecular mechanics and dipole moments as a useful combination in conformational analysis of open-chain compounds. Application to α-adamantyl-β-diketones'. Together they form a unique fingerprint.

Cite this