Matches in SemOpenAlex for { <https://semopenalex.org/work/W2059474153> ?p ?o ?g. }
Showing items 1 to 98 of
98
with 100 items per page.
- W2059474153 endingPage "90" @default.
- W2059474153 startingPage "83" @default.
- W2059474153 abstract "Density functional theory (DFT) was applied to investigate the structure and conformational equilibrium of tetraaminosulfonylcalix[4]arene (1) and tetramercaptosulfonylcalix[4]arene (2) compounds, which are expected to contribute for the design of novel molecular receptors in supramolecular chemistry. All the calculations predict the 1,3-alternate as the most stable conformer for both compounds, which contrasts with an earlier theoretical study on the corresponding thiacalix[4]arene derivatives where cone was shown to be the most stable. The strong intramolecular hydrogen bonding between the substituent groups at the lower rim and the oxygen atoms of sulfone groups seem to play an important role in the stabilization of the conformers. Besides, the influence of the solvent chloroform was taken into account in this study. The results show that chloroform does not modify the stability ordering of the conformers, but leads to a reduction in the energy gaps between them. The presence of additional coordination sites provided by sulfone groups may induce new binding properties of the host molecule towards a variety of metal ions." @default.
- W2059474153 created "2016-06-24" @default.
- W2059474153 creator A5022081836 @default.
- W2059474153 creator A5069640008 @default.
- W2059474153 creator A5074119381 @default.
- W2059474153 date "2005-09-01" @default.
- W2059474153 modified "2023-10-13" @default.
- W2059474153 title "Comparative study of novel sulfonylcalix[4]arene derivative compounds" @default.
- W2059474153 cites W1966682429 @default.
- W2059474153 cites W1981133735 @default.
- W2059474153 cites W1998866028 @default.
- W2059474153 cites W2001662033 @default.
- W2059474153 cites W2006328906 @default.
- W2059474153 cites W2014630581 @default.
- W2059474153 cites W2018364022 @default.
- W2059474153 cites W2019078589 @default.
- W2059474153 cites W2021502908 @default.
- W2059474153 cites W2023271753 @default.
- W2059474153 cites W2031010691 @default.
- W2059474153 cites W2031411735 @default.
- W2059474153 cites W2033235886 @default.
- W2059474153 cites W2042288531 @default.
- W2059474153 cites W2045658836 @default.
- W2059474153 cites W2051190509 @default.
- W2059474153 cites W2055327257 @default.
- W2059474153 cites W2068165264 @default.
- W2059474153 cites W2071788262 @default.
- W2059474153 cites W2076027778 @default.
- W2059474153 cites W2085280604 @default.
- W2059474153 cites W2102537419 @default.
- W2059474153 cites W2116502862 @default.
- W2059474153 cites W2117894566 @default.
- W2059474153 cites W2124860710 @default.
- W2059474153 cites W2132840088 @default.
- W2059474153 cites W2143981217 @default.
- W2059474153 cites W2147974754 @default.
- W2059474153 cites W2164461525 @default.
- W2059474153 cites W2952603392 @default.
- W2059474153 doi "https://doi.org/10.1016/j.theochem.2005.03.060" @default.
- W2059474153 hasPublicationYear "2005" @default.
- W2059474153 type Work @default.
- W2059474153 sameAs 2059474153 @default.
- W2059474153 citedByCount "6" @default.
- W2059474153 countsByYear W20594741532012 @default.
- W2059474153 countsByYear W20594741532018 @default.
- W2059474153 countsByYear W20594741532019 @default.
- W2059474153 countsByYear W20594741532020 @default.
- W2059474153 crossrefType "journal-article" @default.
- W2059474153 hasAuthorship W2059474153A5022081836 @default.
- W2059474153 hasAuthorship W2059474153A5069640008 @default.
- W2059474153 hasAuthorship W2059474153A5074119381 @default.
- W2059474153 hasConcept C112887158 @default.
- W2059474153 hasConcept C147597530 @default.
- W2059474153 hasConcept C152365726 @default.
- W2059474153 hasConcept C178790620 @default.
- W2059474153 hasConcept C185592680 @default.
- W2059474153 hasConcept C18705241 @default.
- W2059474153 hasConcept C2778689049 @default.
- W2059474153 hasConcept C2778806918 @default.
- W2059474153 hasConcept C2781144210 @default.
- W2059474153 hasConcept C32909587 @default.
- W2059474153 hasConcept C71240020 @default.
- W2059474153 hasConcept C75079739 @default.
- W2059474153 hasConcept C93275456 @default.
- W2059474153 hasConceptScore W2059474153C112887158 @default.
- W2059474153 hasConceptScore W2059474153C147597530 @default.
- W2059474153 hasConceptScore W2059474153C152365726 @default.
- W2059474153 hasConceptScore W2059474153C178790620 @default.
- W2059474153 hasConceptScore W2059474153C185592680 @default.
- W2059474153 hasConceptScore W2059474153C18705241 @default.
- W2059474153 hasConceptScore W2059474153C2778689049 @default.
- W2059474153 hasConceptScore W2059474153C2778806918 @default.
- W2059474153 hasConceptScore W2059474153C2781144210 @default.
- W2059474153 hasConceptScore W2059474153C32909587 @default.
- W2059474153 hasConceptScore W2059474153C71240020 @default.
- W2059474153 hasConceptScore W2059474153C75079739 @default.
- W2059474153 hasConceptScore W2059474153C93275456 @default.
- W2059474153 hasIssue "1-2" @default.
- W2059474153 hasLocation W20594741531 @default.
- W2059474153 hasOpenAccess W2059474153 @default.
- W2059474153 hasPrimaryLocation W20594741531 @default.
- W2059474153 hasRelatedWork W1972863456 @default.
- W2059474153 hasRelatedWork W2023036309 @default.
- W2059474153 hasRelatedWork W2052399476 @default.
- W2059474153 hasRelatedWork W2077273959 @default.
- W2059474153 hasRelatedWork W2087545800 @default.
- W2059474153 hasRelatedWork W2089371831 @default.
- W2059474153 hasRelatedWork W2606553273 @default.
- W2059474153 hasRelatedWork W3012606738 @default.
- W2059474153 hasRelatedWork W4220905048 @default.
- W2059474153 hasRelatedWork W4385077663 @default.
- W2059474153 hasVolume "729" @default.
- W2059474153 isParatext "false" @default.
- W2059474153 isRetracted "false" @default.
- W2059474153 magId "2059474153" @default.
- W2059474153 workType "article" @default.