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Titolo:
PREDICTION OF PK(A) VALUES OF PHENOLIC AND NITROGEN-CONTAINING COMPOUNDS BY COMPUTATIONAL CHEMICAL-ANALYSIS COMPARED TO THOSE MEASURED BY LIQUID-CHROMATOGRAPHY
Autore:
HANAI T; KOIZUMI K; KINOSHITA T; ARORA R; AHMED F;
Indirizzi:
INST PASTEUR,HLTH RES FDN,INT INST CHEM ANAL,SAKYO KU,5F KYOTO 606 JAPAN KITASATO UNIV,SCH PHARMACEUT SCI,MINATO KU TOKYO 108 JAPAN PHENOMENEX INC TORRANCE CA 90501
Titolo Testata:
Journal of chromatography
fascicolo: 1-2, volume: 762, anno: 1997,
pagine: 55 - 61
Fonte:
ISI
Lingua:
ENG
Soggetto:
AROMATIC-ACIDS; AGENTS;
Keywords:
DISSOCIATION CONSTANTS; HAMMETTS EQUATION; PHENOLIC COMPOUNDS; NITROGEN-CONTAINING COMPOUNDS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Science Citation Index Expanded
Citazioni:
11
Recensione:
Indirizzi per estratti:
Citazione:
T. Hanai et al., "PREDICTION OF PK(A) VALUES OF PHENOLIC AND NITROGEN-CONTAINING COMPOUNDS BY COMPUTATIONAL CHEMICAL-ANALYSIS COMPARED TO THOSE MEASURED BY LIQUID-CHROMATOGRAPHY", Journal of chromatography, 762(1-2), 1997, pp. 55-61

Abstract

The pK(a) values of 64 phenolic and 50 nitrogen-containing compounds were obtained by reversed-phase liquid chromatography and computational chemical calculation. The chromatographically obtained values of phenolic compounds were equal to pK(a) values from references and Hammett's equation, and those of nitrogen-containing compounds were lower than the reference values. It appeared difficult to calculate the properties of the ortho effect and nitro group by the computational calculation method. However, the calculation was simpler than selecting different constants of Hammett's equation for a variety of compounds.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 30/03/20 alle ore 19:39:54