Zobrazeno 1 - 10 of 21 pro vyhledávání: '"Frederick Anvia"'
1
Revised and Expanded Scale of Gas-Phase Lithium Cation Basicities. An Experimental and Theoretical Study
Autor: Ivar Koppel, Peeter Burk, and Frederick Anvia, Jean-François Gal, José-Luis M. Abboud, P.-C. Maria,§, Riho Kurg, M. Herreros, Ilmar A. Koppel, Rafael Notario, Robert W. Taft
Publikováno v: The Journal of Physical Chemistry A. 104:2824-2833
The previously reported gas-phase lithium cation basicity (LCB) scale (Taft et al. Pure Appl. Chem. 1990, 62, 17) was revised on the basis of recent experimental and theoretical (G2 calculations) results. A new anchoring based on the experimental LCA
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b6371c9b4931843f2acef700dd1ec153
https://doi.org/10.1021/jp9931399
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2
Theoretical study of prototropic tautomerism and acidity of tris(fluorosulfonyl)methane
Autor: Frederick Anvia, Jüri Tapfer, Peeter Burk, Ilmar A. Koppel, Robert W. Taf
Publikováno v: Journal of Molecular Structure: THEOCHEM. 315:191-196
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 ge
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e8622744dba2036e46a851a97353c43f
https://doi.org/10.1016/0166-1280(94)03763-b
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3
Rechecking of the equilibrium gas-phase basicity scale for low-basicity compounds using fourier transform ion cyclotron resonance spectrometry
Autor: Ilmar A. Koppel, Frederick Anvia, Robert W. Taft
Publikováno v: Journal of Physical Organic Chemistry. 7:717-724
Fourier transform ion cyclotron resonance (FT-ICR) spectrometry was used to study and recheck the proton transfer equilibria for a large number of low-basicity compounds, particularly those which are less basic than H2O. The data obtained were used f
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::116939cc4678294162695e0d11a21a93
https://doi.org/10.1002/poc.610071210
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6
ChemInform Abstract: Intramolecular Catalysis. Part 6. The Intramolecular Cannizzaro Reaction and Hydration of Phenanthrene-4,5-dicarbaldehyde and (α, α′-2H2)Phenanthrene-4,5-dicarbaldehyde
Autor: Keith Bowden, Frederick Anvia
Publikováno v: ChemInform. 22
Phenanthrene-4,5-dicarbaldehyde has been shown to form a bridged (cyclic) hydrate in aqueous solution, as a cis–trans mixture. The rate coefficients for the uncatalysed hydration has been measured at two temperatures and the activation parameters e
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9f80e05dd46f65fb03864d58da100894
https://doi.org/10.1002/chin.199111074
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7
The nature of field effects and their fall-off with distance: The acidity of substituted quinuclidinium and bicyclooctylammonium ions
Autor: Stephen Marriott, A. Cook, William Adcock, Frederick Anvia, M. Taagera, Robert W. Taft, R. W. Topsom, Peter J. Duggan, Graeme Butt, C. A. Grob, J. Rowe
Publikováno v: Journal of Physical Organic Chemistry. 4:353-360
Gas-phase acidities are reported for series of substituted quinuclidinium and bicyclo [2.2.2] octylammonium ions. Ab initio calculations are also reported for these equilibria at the STO-3G and 3-21G (for the quinuclidines) bases and can be used to e
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::850e92654e26dccefcd66bd82830d16d
https://doi.org/10.1002/poc.610040606
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8
Effect of the replacement of a methyl by a trifluoromethyl group on the acid-base properties of pyrazoles
Autor: Gloria I. Yranzo, Javier Catalán, José L. de Paz, Margarita Menéndez, Pilar Jiménez, José Laynez, José Elguero, Robert W. Taft, Frederick Anvia
Publikováno v: Scopus-Elsevier
Experimental determinations have been carried out of the thermodynamic basicities and acidities in the gas phase and in aqueous solution of pyrazoles substituted at positions 3 and 5 with methyl and trifluoromethyl groups. Corresponding theoretical c
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d9fb21e30638b99a4e69945c635623d3
https://doi.org/10.1021/jo00012a030
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9
Experimental and theoretical study of lithium(1+) affinities of methyldiazoles
Autor: Manuel Yáñez, R. W. Taft, Manuel Alcamí, Otilia Mó, Frederick Anvia
Publikováno v: The Journal of Physical Chemistry. 94:4796-4804
The gas-phase Li + affinities of a wide set of methyldiazoles were obtained by ion cyclotron resonance techniques. Simultaneously, Hartree-Fock calculations at the 3-21G level have been performed to investigate the structure and stability of these Li
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1463cd9e15ad3f107add121d36d92918
https://doi.org/10.1021/j100375a011
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10
Acidities of OH compounds, including alcohols, phenol, carboxylic acids, and mineral acids
Autor: I. Koppel, Robert W. Taft, Frederick Anvia, R. D. Topsom
Publikováno v: Journal of the American Chemical Society. 112:2047-2052
Les acidites en phase gazeuse de divers alcools, halogenoalcools, phenol, acides carboxyliques, et acides mineraux sont reproduites par un traitement theorique empirique des effets du substituant (X), de la polarisabilite (P), du champ/inducteur (F),
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::efba3378cf875efa73797001cd1caecc
https://doi.org/10.1021/ja00162a001
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