КФУ. Карточка публикации. Solution state and complexing ability of 1,4-bis(amidomethylsulfinyl)butane toward iron(III), copper(II), cobalt(II), nickel(II), and manganese(II)

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SOLUTION STATE AND COMPLEXING ABILITY OF 1,4-BIS(AMIDOMETHYLSULFINYL)BUTANE TOWARD IRON(III), COPPER(II), COBALT(II), NICKEL(II), AND MANGANESE(II)

Форма представления

Статьи в зарубежных журналах и сборниках

Год публикации

2017

Язык

английский

Авторы, сотрудники КФУ

Чмутова Галина Алексеевна, автор

Библиографическое описание на языке оригинала

Neklyudov V. V. Solution state and complexing ability of 1,4-bis(amidomethylsulfinyl)butane toward iron(III), copper(II), cobalt(II), nickel(II), and manganese(II) / V. V. Neklyudov, G. A. Boos, M. M. Shulaeva, G. A. Chmutova, Yu.I. Bagina, Yu. I. Salnikov, and R. R. Amirov // Russian Chemical Bulletin, International Edition, Vol. 66, No. 4, pp. 628—635

Аннотация

The solution state and thermodynamic stability of complexes of the new antituberculosis agent 1,44bis(amidomethylsulfinyl)butane (L) with ron(III), copper(II), cobalt(II), nickel(II), and manganese(II) in aqueous solution in the presence and in the absence of the nonionic surfactant Brij 35 were studied by spectrophotometry, pH potentiometry, NMR relaxation technique (T = 25 ?C; variable ionic strength), and mathematical simulation. The geometry optimization of all structures was carried out by the molecular mechanics method MM2 in order to obtain data on coordination modes. In addition, the structure of 1,44bis(amidoo methylsulfinyl)butane was refined by the DFT/B3LYP/66311++G(d,p) quantum chemical method using the IEFPCM model to take into account solvent effects. In an aqueous solution (in the concentration range of 1.3?10 –5 —1?10 –3 mol L –1 ) and in the presence of Brij 35, 1,44bis(amidomethylsulfinyl)butane exists as a neutral monomer. The Beer—Lambert—Bouu guer law is obey

Ключевые слова

1,44bis(amidomethylsulfinyl)butane, iron(III), copper(II), cobalt(II), nickel(II), manganese(II), nonionic surfactant Brij 35, complexation, threeedimensional structur

Название журнала

Russian Chemical Bulletin

URL

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85028747685&doi=10.1007%2fs11172-017-1783-y&partnerID=40&md5=c40662526058135157f7c97f381c1e3b

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https://repository.kpfu.ru/?p_id=185896

Полная запись метаданных

Поле DC	Значение	Язык
dc.contributor.author	Чмутова Галина Алексеевна	ru_RU
dc.date.accessioned	2017-01-01T00:00:00Z	ru_RU
dc.date.available	2017-01-01T00:00:00Z	ru_RU
dc.date.issued	2017	ru_RU
dc.identifier.citation	Neklyudov V. V. Solution state and complexing ability of 1,4-bis(amidomethylsulfinyl)butane toward iron(III), copper(II), cobalt(II), nickel(II), and manganese(II) / V. V. Neklyudov, G. A. Boos, M. M. Shulaeva, G. A. Chmutova, Yu.I. Bagina, Yu. I. Salnikov, and R. R. Amirov // Russian Chemical Bulletin, International Edition, Vol. 66, No. 4, pp. 628—635	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/?p_id=185896	ru_RU
dc.description.abstract	Russian Chemical Bulletin	ru_RU
dc.description.abstract	The solution state and thermodynamic stability of complexes of the new antituberculosis agent 1,44bis(amidomethylsulfinyl)butane (L) with ron(III), copper(II), cobalt(II), nickel(II), and manganese(II) in aqueous solution in the presence and in the absence of the nonionic surfactant Brij 35 were studied by spectrophotometry, pH potentiometry, NMR relaxation technique (T = 25 ?C; variable ionic strength), and mathematical simulation. The geometry optimization of all structures was carried out by the molecular mechanics method MM2 in order to obtain data on coordination modes. In addition, the structure of 1,44bis(amidoo methylsulfinyl)butane was refined by the DFT/B3LYP/66311++G(d,p) quantum chemical method using the IEFPCM model to take into account solvent effects. In an aqueous solution (in the concentration range of 1.3?10 –5 —1?10 –3 mol L –1 ) and in the presence of Brij 35, 1,44bis(amidomethylsulfinyl)butane exists as a neutral monomer. The Beer—Lambert—Bouu guer law is obey	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	1	ru_RU
dc.subject	44bis(amidomethylsulfinyl)butane	ru_RU
dc.subject	iron(III)	ru_RU
dc.subject	copper(II)	ru_RU
dc.subject	cobalt(II)	ru_RU
dc.subject	nickel(II)	ru_RU
dc.subject	manganese(II)	ru_RU
dc.subject	nonionic surfactant Brij 35	ru_RU
dc.subject	complexation	ru_RU
dc.subject	threeedimensional structur	ru_RU
dc.title	Solution state and complexing ability of 1,4-bis(amidomethylsulfinyl)butane toward iron(III), copper(II), cobalt(II), nickel(II), and manganese(II)	ru_RU
dc.type	Статьи в зарубежных журналах и сборниках	ru_RU