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F. Anvia

University of California, Irvine

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Featured researches published by F. Anvia.

Journal of Molecular Structure-theochem | 1994

Theoretical study of prototropic tautomerism and acidity of tris(fluorosulfonyl)methane

Peeter Burk; Ilmar A. Koppel; Jüri Tapfer; F. Anvia; Robert W. Taf

Abstract The prototropic tautomerism and acidity of (FSO2)3CH was studied at both the semiempirical (PM3) and ab initio (HF/STO-3G∗ and 3–21G∗) level. It was shown that PM3 fails to describe the energetics of prototropic tautomerism, while giving the geometry of the sulfo form in good agreement with the experimental data. The ab initio calculations predict, in accordance with the experiment, that the sulfone form is more stable than the enol form. The conformity between calculated and experimental geometry was also satisfactory. The gas phase acidity of (FSO2)3CH was calculated and the factors which contribute to the extremely high gas phase acidity of the title compound were discussed.

Journal of the American Chemical Society | 1986

Electrostatic proximity effects in the relative basicities and acidities of pyrazole, imidazole, pyridazine, and pyrimidine

Robert W. Taft; F. Anvia; M. Taagepera; Javier Catalán; José Elguero

Journal of the American Chemical Society | 1988

Basicity and acidity of azoles: the annelation effect in azoles

Javier Catalán; Rosa M. Claramunt; José Elguero; José Laynez; Margarita Menéndez; F. Anvia; J. H. Quian; M. Taagepera; Robert W. Taft

Journal of the American Chemical Society | 1988

Regarding the inherent dependence of resonance effects of strongly conjugated substituents on electron demand

Robert W. Taft; José-Luis M. Abboud; F. Anvia; Michel Berthelot; Mizue. Fujio; Jean Francois. Gal; Allan D. Headley; William G. Henderson; Ilmar A. Koppel

Journal of Computational Chemistry | 1989

The tautomerism of 1,2,3-triazole, 3(5)-methylpyrazole and their cations

Javier Catalán; Marta Sánchez-Cabezudo; José Luis G. De Paz; José Elguero; Robert W. Taft; F. Anvia

Journal of the American Chemical Society | 1988

Study of the gas-phase basicity of 1-methylazaindole, 7-methyl-7H-pyrrolo[2,3-b]pyridine, and related compounds

Javier Catalán; J. L. G. De Paz; Manuel Yáñez; Francisco Amat-Guerri; R. Houriet; E. Rolli; R. Zehringer; P. Oelhafen; Robert W. Taft; F. Anvia; J. H. Qian

Journal of the American Chemical Society | 1994

Thermodynamic Acidity of (CF3)3CH and 1H-Undecafluorobicyclo[2.2.1]heptane: The Concept of Anionic (Fluorine) Hyperconjugation

Ilmar A. Koppel; Viljar Pihl; Juta Koppel; F. Anvia; Robert W. Taft

Journal of Physical Organic Chemistry | 1991

The nature of field effects and their fall-off with distance: The acidity of substituted quinuclidinium and bicyclooctylammonium ions

William Adcock; F. Anvia; G. Butt; A. Cook; P. Duggan; C. A. Grob; S. Marriott; J. Rowe; M. Taagera; Robert W. Taft; R. W. Topsom

Journal of Molecular Structure-theochem | 1990

Electrostatic proximity effects in gas-phase acidities and basicities: a comparison of theoretical methods (INDO, MNDO, AM1 and ab initio)

Javier Catalán; J. L. G. De Paz; José Elguero; Ana Martinez; Robert W. Taft; F. Anvia

Journal of Physical Organic Chemistry | 1994

Rechecking of the equilibrium gas-phase basicity scale for low-basicity compounds using fourier transform ion cyclotron resonance spectrometry

Ilmar A. Koppel; F. Anvia; Robert W. Taft

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Robert W. Taft

University of California

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Javier Catalán

Autonomous University of Madrid

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Ilmar A. Koppel

University of Tartu

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J. L. G. De Paz

Autonomous University of Madrid

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José Elguero

Spanish National Research Council

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Francisco Amat-Guerri

Spanish National Research Council

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Manuel Yáñez

Autonomous University of Madrid

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Juta Koppel

University of Tartu

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Jüri Tapfer

University of Tartu

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Peeter Burk

University of Tartu

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