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Thermochemistry of ammonium based ionic liquids: Thiocyanates - Experiments and computations

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dc.contributor.author Yermalayeu A.
dc.contributor.author Zaitsau D.
dc.contributor.author Emel'yanenko V.
dc.contributor.author Verevkin S.
dc.date.accessioned 2018-09-18T20:28:22Z
dc.date.available 2018-09-18T20:28:22Z
dc.date.issued 2015
dc.identifier.issn 0095-9782
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/140249
dc.description.abstract © Springer Science+Business Media New York 2015. Abstract Molar enthalpies of solution of tetra-n-butylammonium thiocyanate [N(Bu)<inf>4</inf>][SCN] and tetra-n-pentylammonium thiocyanate [N(Pe)<inf>4</inf>][SCN] in water were measured by using solution calorimetry. The enthalpy of combustion of [N(Bu)<inf>4</inf>][SCN] was measured by using rotation bomb combustion calorimetry and the enthalpy of formation of this ionic liquids was derived. The thermal behavior of [N(Bu)<inf>4</inf>][SCN] was studied using differential scanning calorimetry. Quantum-chemical calculations of the molar enthalpy of formation in the gaseous phase have been performed for the series [N(R)<inf>4</inf>][SCN] with RA =(Me, Et, n-Bu, and n-Pe) using the G3MP2 level of theory. Experimental and calculated values of the enthalpies of formation are in agreement within the boundaries of the experimental uncertainties.
dc.relation.ispartofseries Journal of Solution Chemistry
dc.subject Combustion calorimetry
dc.subject Enthalpy of formation
dc.subject Enthalpy of solution
dc.subject Ionic liquids
dc.subject Quantum-chemical calculations
dc.subject Solution calorimetry
dc.title Thermochemistry of ammonium based ionic liquids: Thiocyanates - Experiments and computations
dc.type Article
dc.relation.ispartofseries-issue 3-4
dc.relation.ispartofseries-volume 44
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 754
dc.source.id SCOPUS00959782-2015-44-3-4-SID84940003224


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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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