TY - JOUR
T1 - The conformation of trispyrazolylmethanes: An experimental and theoretical study
AU - Claramunt, Rosa María
AU - López, Concepción
AU - Jaime, Carles
AU - Virgili, Albert
AU - Marco, Carlos
AU - Elguero, José
PY - 1995/1/1
Y1 - 1995/1/1
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/0347299458
M3 - Article
SN - 0385-5414
VL - 40
SP - 175
EP - 186
JO - Heterocycles
JF - Heterocycles
IS - 1
ER -