The conformation of trispyrazolylmethanes: An experimental and theoretical study

Rosa María Claramunt, Concepción López, Carles Jaime, Albert Virgili, Carlos Marco, José Elguero

Research output: Contribution to journalArticleResearchpeer-review

6 Citations (Scopus)

Abstract

A combination of methods which include MM2 and MNDO calculations, nmr spectroscopy in the solid state (CPMAS) and in solution (1H, 13C, LSR, chiral solvents and NOE experiments), DSC and X-ray powder diffraction has been used to study the conformation of tris(pyrazol-1-yl)methanes and ethanes. It has been shown that tris(3,5-dimethylpyrazol-1-yl)methane(4)exists in two isolable isomers, the ABB and the BBB, whose interconversion by melting, crystallization and sublimation has been studied. © 1995.
Original languageEnglish
Pages (from-to)175-186
JournalHeterocycles
Volume40
Issue number1
Publication statusPublished - 1 Jan 1995

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