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1,6-Bis(hydrazidomethylsulfinyl)hexane: the solution state and complexation with copper(II)

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dc.contributor.author Neklyudov V.V.
dc.contributor.author Boos G.A.
dc.contributor.author Shulaeva M.M.
dc.contributor.author Chmutova G.A.
dc.contributor.author Amirov R.R.
dc.date.accessioned 2021-02-25T20:37:57Z
dc.date.available 2021-02-25T20:37:57Z
dc.date.issued 2020
dc.identifier.issn 1066-5285
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/162112
dc.description.abstract © 2020, Springer Science+Business Media LLC. The solution state of a new antituberculosis drug 1,6-bis(hydrazidomethylsulflnyl)hexane (L) and its complexation with copper(II) were investigated by spectrophotometry, pH-potentiometry (T = 25 °C; at variable ionic strength), and mathematical modeling. The dissociation constants of the protonated and imidol forms of compound L were determined. Complexation reactions in the Cu2+—L system result in mononuclear complexes [CuL]2+ and [CuL2]2+ with the amide form of the ligand provided that the redox reactions are excluded. The most probable (optimized) structures of 1,6-bis(hydrazidomethylsulfinyl)hexane and its complexes were obtained from quantum chemical calculations within the framework of the density functional theory (PBE/6-311G (d) method). Compound L adopts a folded conformation. The coordination site of the 1:1 complex includes six oxygen atoms from two carbonyl groups, two sulfoxide groups, and two water molecules. In the 1:2 complex, each ligand molecule is coordinated in bidentate mode through the carbonyl oxygen atom and the primary amino nitrogen of a hydrazide fragment.
dc.relation.ispartofseries Russian Chemical Bulletin
dc.subject 1,6-bis(hydrazidomethylsulfinyl)hexane
dc.subject complexation
dc.subject copper(II)
dc.subject spatial structure
dc.title 1,6-Bis(hydrazidomethylsulfinyl)hexane: the solution state and complexation with copper(II)
dc.type Article
dc.relation.ispartofseries-issue 10
dc.relation.ispartofseries-volume 69
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 1907
dc.source.id SCOPUS10665285-2020-69-10-SID85094893113

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  • Публикации сотрудников КФУ Scopus [22633]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

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