About: Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series.

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About: Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The nature of inductive substituent effect on the acidity of aliphatic carboxylic acids was analyzed in terms of a quantum chemical model based on the Longuet-Higgins theory of proton affinity. It has been shown that the effect is generally composed of two additive components, the electrostatic one and the polarization one. The relative weights of these components depend in any given case on the type of the reaction series. Thus, for example, the substituent-induced variation of gas-phase acidity in a series of 4-substituted bicyclo[2.2.2]octane-1-carboxylic acids is due to the electrostatic component classically described by the Kirkwood-Westheimer theory. On the other hand, the gas-phase basicity in a series of aliphatic amines is primarily determined by the polarization term that in traditional description corresponds to the concept of inductive effect. The nature of inductive substituent effect on the acidity of aliphatic carboxylic acids was analyzed in terms of a quantum chemical model based on the Longuet-Higgins theory of proton affinity. It has been shown that the effect is generally composed of two additive components, the electrostatic one and the polarization one. The relative weights of these components depend in any given case on the type of the reaction series. Thus, for example, the substituent-induced variation of gas-phase acidity in a series of 4-substituted bicyclo[2.2.2]octane-1-carboxylic acids is due to the electrostatic component classically described by the Kirkwood-Westheimer theory. On the other hand, the gas-phase basicity in a series of aliphatic amines is primarily determined by the polarization term that in traditional description corresponds to the concept of inductive effect. (en)
Title	Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. (en)
skos:prefLabel	Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. Molecular Basis of Linear Free Energy Relationships. The Nature of Inductive Effect in Aliphatic Series. (en)
skos:notation	RIV/67985858:_____/02:27020044!RIV/2003/AV0/A27003/N
http://linked.open.../vavai/riv/strany	564;570
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(OC D9.20), Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Ponec, Robert
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav chemických procesů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	654089
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/02:27020044
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	linear free energy relationships; molecular basis; nature of inductive (en)
http://linked.open.../riv/klicoveSlovo	molecular basis linear free energy relationships nature of inductive
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[83A2910330A6]
http://linked.open...i/riv/nazevZdroje	Journal of Chemical Information and Computer Science
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20D9.20
http://linked.open...UplatneniVysledku	2002
http://linked.open...v/svazekPeriodika	42
http://linked.open...iv/tvurceVysledku	Ponec, Robert Carbó-Dorca, R. Girones, X.
http://linked.open...n/vavai/riv/zamer	Theoretical fundamentals of chemical processes: equilibrium and dynamic behavior of multiphase reacting systems
issn	0095-2338
number of pages	7 (xsd:int)

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