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Cooperative intramolecular hydrogen bond and conformations of thiocalix[4]arene molecules

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dc.contributor.author Kovalenko V.
dc.contributor.author Chernova A.
dc.contributor.author Borisoglebskaya E.
dc.contributor.author Katsyuba S.
dc.contributor.author Zverev V.
dc.contributor.author Shagidullin R.
dc.contributor.author Antipin I.
dc.contributor.author Solov'eva S.
dc.contributor.author Stoikov I.
dc.contributor.author Konovalov A.
dc.date.accessioned 2018-09-17T21:17:39Z
dc.date.available 2018-09-17T21:17:39Z
dc.date.issued 2002
dc.identifier.issn 1066-5285
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/134797
dc.description.abstract The joint FTIR spectroscopic study and ab initio quantum-chemical calculations (HF/3-21G and PBE/TZ2P methods) showed that thiocalix[4] arene molecules adopt the cone conformation in CCl4 solutions. The weakening of the cooperative intramolecular H bond in thiocalix[4]arenes compared to the corresponding calix[4]arenes can be due to the larger thiocalixarene macrocycle, bifurcated hydrogen bond in it, and electron density transfer from the bridging S atom to the benzene ring.
dc.relation.ispartofseries Russian Chemical Bulletin
dc.subject ab initio quantum-chemical calculations
dc.subject Bifurcated hydrogen bond
dc.subject Calix[4]arenes
dc.subject Cone conformation
dc.subject Cooperative hydrogen bond
dc.subject FTIR spectroscopy
dc.subject Thiocalix[4]arenes
dc.subject UV spectroscopy
dc.title Cooperative intramolecular hydrogen bond and conformations of thiocalix[4]arene molecules
dc.type Article
dc.relation.ispartofseries-issue 5
dc.relation.ispartofseries-volume 51
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 825
dc.source.id SCOPUS10665285-2002-51-5-SID84897367023


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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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