The conformation of trispyrazolylmethanes: An experimental and theoretical study

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

The conformation of trispyrazolylmethanes: An experimental and theoretical study

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

Departament de Química

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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.

Idioma original	Anglès
Pàgines (de-a)	175-186
Revista	Heterocycles
Volum	40
Número	1
Estat de la publicació	Publicada - 1 de gen. 1995

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title = "The conformation of trispyrazolylmethanes: An experimental and theoretical study",

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. {\textcopyright} 1995.",

author = "Claramunt, {Rosa Mar{\'i}a} and Concepci{\'o}n L{\'o}pez and Carles Jaime and Albert Virgili and Carlos Marco and Jos{\'e} Elguero",

year = "1995",

month = jan,

day = "1",

language = "English",

volume = "40",

pages = "175--186",

journal = "Heterocycles",

issn = "0385-5414",

publisher = "Japan Institute of Heterocyclic Chemistry",

number = "1",

}

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.

M3 - Article

SN - 0385-5414

VL - 40

SP - 175

EP - 186

JO - Heterocycles

JF - Heterocycles

IS - 1

ER -

The conformation of trispyrazolylmethanes: An experimental and theoretical study

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