Conformational analysis of 4-aryl-2,2,6,6-tetramethyl-heptane-3,5-diones. Dipole moment determinations and molecular mechanics calculations

Marcial Moreno-Mañas; Mohamed Fathallah; Irmina Hernández-Fuentes; Carlos Jaime; María E. Lloris; Jorge Marquet; María F. Rey-Stolle

doi:10.1016/S0040-4020(01)89423-0

Conformational analysis of 4-aryl-2,2,6,6-tetramethyl-heptane-3,5-diones. Dipole moment determinations and molecular mechanics calculations

Marcial Moreno-Mañas, Mohamed Fathallah, Irmina Hernández-Fuentes, Carlos Jaime, María E. Lloris, Jorge Marquet, María F. Rey-Stolle

Department of Chemistry

Research output: Contribution to journal › Article › Research › peer-review

Abstract

The dipole moments of the title diketones have been measured and compared with the values calculated by MM2. Both sets of values are in good agreement. The diketones exist (74-94%) in pairs of enantiomeric conformations with angles between both carbonyl dipoles in the range 62-66°. © 1994.

Original language	English
Pages (from-to)	11213-11218
Journal	Tetrahedron
Volume	50
Issue number	38
DOIs	https://doi.org/10.1016/S0040-4020(01)89423-0
Publication status	Published - 1 Jan 1994

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title = "Conformational analysis of 4-aryl-2,2,6,6-tetramethyl-heptane-3,5-diones. Dipole moment determinations and molecular mechanics calculations",

abstract = "The dipole moments of the title diketones have been measured and compared with the values calculated by MM2. Both sets of values are in good agreement. The diketones exist (74-94%) in pairs of enantiomeric conformations with angles between both carbonyl dipoles in the range 62-66°. {\textcopyright} 1994.",

author = "Marcial Moreno-Ma{\~n}as and Mohamed Fathallah and Irmina Hern{\'a}ndez-Fuentes and Carlos Jaime and Lloris, {Mar{\'i}a E.} and Jorge Marquet and Rey-Stolle, {Mar{\'i}a F.}",

year = "1994",

month = jan,

day = "1",

doi = "10.1016/S0040-4020(01)89423-0",

language = "English",

volume = "50",

pages = "11213--11218",

journal = "Tetrahedron",

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T1 - Conformational analysis of 4-aryl-2,2,6,6-tetramethyl-heptane-3,5-diones. Dipole moment determinations and molecular mechanics calculations

AU - Moreno-Mañas, Marcial

AU - Fathallah, Mohamed

AU - Hernández-Fuentes, Irmina

AU - Jaime, Carlos

AU - Lloris, María E.

AU - Marquet, Jorge

AU - Rey-Stolle, María F.

PY - 1994/1/1

Y1 - 1994/1/1

N2 - The dipole moments of the title diketones have been measured and compared with the values calculated by MM2. Both sets of values are in good agreement. The diketones exist (74-94%) in pairs of enantiomeric conformations with angles between both carbonyl dipoles in the range 62-66°. © 1994.

AB - The dipole moments of the title diketones have been measured and compared with the values calculated by MM2. Both sets of values are in good agreement. The diketones exist (74-94%) in pairs of enantiomeric conformations with angles between both carbonyl dipoles in the range 62-66°. © 1994.

U2 - 10.1016/S0040-4020(01)89423-0

DO - 10.1016/S0040-4020(01)89423-0

M3 - Article

SN - 0040-4020

VL - 50

SP - 11213

EP - 11218

JO - Tetrahedron

JF - Tetrahedron

IS - 38

ER -

Conformational analysis of 4-aryl-2,2,6,6-tetramethyl-heptane-3,5-diones. Dipole moment determinations and molecular mechanics calculations

Abstract

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