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Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations

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dc.contributor.author Varfolomeev M.
dc.contributor.author Rakipov I.
dc.contributor.author Khachatrian A.
dc.contributor.author Acree W.
dc.contributor.author Brumfield M.
dc.contributor.author Abraham M.
dc.date.accessioned 2018-09-18T20:32:12Z
dc.date.available 2018-09-18T20:32:12Z
dc.date.issued 2015
dc.identifier.issn 0040-6031
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/140897
dc.description.abstract © 2015 Elsevier B.V. Enthalpies of solution at infinite dilution at 298 K, Δ<inf>soln</inf>H<sup>A/Solvent</sup>, have been measured by isothermal solution calorimetry for 43 and 72 organic solutes dissolved in chlorobenzene and 1,2-dichlorobenzene, respectively. The measured Δ<inf>soln</inf>H<sup>A/Solvent</sup> data, along with published Δ<inf>soln</inf>H<sup>A/Solvent</sup> values taken from the published literature for solutes dissolved in both chlorobenzene solvents, were converted to enthalpies of solvation, Δ<inf>solv</inf>H<sup>A/Solvent</sup>, using standard thermodynamic equations. Abraham model correlations were developed from the experimental Δ<inf>solv</inf>H<sup>A/Solvent</sup> data. The best derived correlations describe the experimental gas-to-chlorobenzene and gas-to-1,2-dichlorobenzene enthalpies of solvation to within standard deviations of 1.5 kJ mol<sup>-1</sup> and 1.9 kJ mol<sup>-1</sup>, respectively. Enthalpies of X-H⋯π (X - O, N, and C) hydrogen bond formation of proton donor solutes (alcohols, amines, chlorinated hydrocarbons, etc.) with chlorobenzene and 1,2-dichlorobenzene were calculated based on the Abraham solvation equation. Obtained values are in good agreement with the results determined using conventional methods.
dc.relation.ispartofseries Thermochimica Acta
dc.subject 1,2-Dichlorobenzene
dc.subject Chlorobenzene
dc.subject Enthalpy of solution
dc.subject Enthalpy of solvation
dc.subject Hydrogen bonding
dc.subject Molecular interactions
dc.title Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations
dc.type Article
dc.relation.ispartofseries-volume 617
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 8
dc.source.id SCOPUS00406031-2015-617-SID84939824094


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  • Публикации сотрудников КФУ Scopus [24551]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

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