About: Acidities of Nitrous and Nitric Acids

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	x (cs) The energies of nitrous and nitric acid and their anions were calculated at the MP2(FC)/6-311++G(2d,2p) level. Their acidity was related to the acidity of hydroxylamine derivatives using isodesmic reactions. This procedure reveals that the molecules of HNO2 and HNO3 are strongly stabilized (by 119 or 206 kJ#mol-1, respectively) but their anions are stabilized even more (by 282 or 428 kJ#mol-1). The acidity of these acids is thus caused by the low energy of their anions and not by the high energy of the acid molecules, similarly to the case of carboxylic acids. This stability may be partly due to resonance but the contribution of this effect can only be estimated. Correlation of the acidities of various acids with the inductive and polarization parameters led to the following estimate: in the case of nitrous acid 46 % of the acidity enhancement is due to resonance while in the case of nitric acid it is 25 %. (# Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005) The energies of nitrous and nitric acid and their anions were calculated at the MP2(FC)/6-311++G(2d,2p) level. Their acidity was related to the acidity of hydroxylamine derivatives using isodesmic reactions. This procedure reveals that the molecules of HNO2 and HNO3 are strongly stabilized (by 119 or 206 kJ#mol-1, respectively) but their anions are stabilized even more (by 282 or 428 kJ#mol-1). The acidity of these acids is thus caused by the low energy of their anions and not by the high energy of the acid molecules, similarly to the case of carboxylic acids. This stability may be partly due to resonance but the contribution of this effect can only be estimated. Correlation of the acidities of various acids with the inductive and polarization parameters led to the following estimate: in the case of nitrous acid 46 % of the acidity enhancement is due to resonance while in the case of nitric acid it is 25 %. (# Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005) (en)
Title	Acidities of Nitrous and Nitric Acids Acidities of Nitrous and Nitric Acids (en) Acidities of Nitrous and Nitric Acids (cs)
skos:prefLabel	Acidities of Nitrous and Nitric Acids Acidities of Nitrous and Nitric Acids (en) Acidities of Nitrous and Nitric Acids (cs)
skos:notation	RIV/60461373:22310/05:00020600!RIV09-MSM-22310___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(LN00A032), Z(AV0Z4055905), Z(MSM6046137301)
http://linked.open...iv/cisloPeriodika	9
http://linked.open...vai/riv/dodaniDat	2009
http://linked.open...aciTvurceVysledku	Böhm, Stanislav
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	Vysoká škola chemicko-technologická v Praze / Fakulta chemické technologie
http://linked.open...dnocenehoVysledku	511265
http://linked.open...ai/riv/idVysledku	RIV/60461373:22310/05:00020600
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Ab initio calculations; Isodesmic reaction; Resonance; Acidity (en)
http://linked.open.../riv/klicoveSlovo	Acidity Resonance Ab initio calculations Isodesmic reaction
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[2AE0A18A373A]
http://linked.open...i/riv/nazevZdroje	European Journal of Inorganic Chemistry
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Structure and dynamics of complex molecular systems and biomolecules
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	2005
http://linked.open...iv/tvurceVysledku	Böhm, Stanislav Exner, Otto
http://linked.open...ain/vavai/riv/wos	000229135400016
http://linked.open...n/vavai/riv/zamer	Catalytic processes in chemistry and chemical technology Chemical principles of selected biological phenomena in medicine and ecology
issn	1434-1948
number of pages	515 (xsd:int)
http://localhost/t...ganizacniJednotka	22310
is http://linked.open...avai/riv/vysledek of	Acidities of Nitrous and Nitric Acids

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