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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 |