Matches in SemOpenAlex for { <https://semopenalex.org/work/W2973744717> ?p ?o ?g. }
- W2973744717 endingPage "127058" @default.
- W2973744717 startingPage "127058" @default.
- W2973744717 abstract "Abstract The FTIR and FT Raman spectra of p-sulfonatocalix[4]arene acid, having azobenzene groups (FA), and its tetrasodium salt (S) were studied. Vibrational spectra of acid and its salts were calculated using the DFT method. The energy differences between E- and Z-forms of azobenzene groups in FA and S are 53.2 and 30.8 kcal/mol, respectively. The p-sulfonatocalix[4]arene is in cone conformation with a cyclic system of hydrogen bonds. The strength of the hydrogen bonds is lower in the salt molecule. The orientation of the aromatic units in the acid and salt is different. The assignment of the bands in the experimental vibrational spectra of the calixarenes was carried out by calculating the contributions of the internal coordinates to the potential energy. We identified characteristic bands for different conformations of the azobenzene groups. The analysis of molecular orbitals shows that HOMO is localized on aromatic units and that LUMO is associated with sulphonate groups." @default.
- W2973744717 created "2019-09-26" @default.
- W2973744717 creator A5006569528 @default.
- W2973744717 creator A5009576349 @default.
- W2973744717 creator A5023019077 @default.
- W2973744717 creator A5036370928 @default.
- W2973744717 creator A5059169318 @default.
- W2973744717 creator A5087016714 @default.
- W2973744717 date "2020-01-01" @default.
- W2973744717 modified "2023-10-16" @default.
- W2973744717 title "Vibrational spectra study of p-sulfonatocalix[4]arene containing azobenzene groups" @default.
- W2973744717 cites W1644808017 @default.
- W2973744717 cites W1963995058 @default.
- W2973744717 cites W1975166913 @default.
- W2973744717 cites W1979218811 @default.
- W2973744717 cites W1979360575 @default.
- W2973744717 cites W1981368803 @default.
- W2973744717 cites W1982055131 @default.
- W2973744717 cites W1984213419 @default.
- W2973744717 cites W1992423112 @default.
- W2973744717 cites W1993154905 @default.
- W2973744717 cites W1999961659 @default.
- W2973744717 cites W2001545013 @default.
- W2973744717 cites W2004226047 @default.
- W2973744717 cites W2007799967 @default.
- W2973744717 cites W2008708918 @default.
- W2973744717 cites W2017132283 @default.
- W2973744717 cites W2017316209 @default.
- W2973744717 cites W2024724252 @default.
- W2973744717 cites W2025724200 @default.
- W2973744717 cites W2053561482 @default.
- W2973744717 cites W2055067014 @default.
- W2973744717 cites W2055813274 @default.
- W2973744717 cites W2069444692 @default.
- W2973744717 cites W2077857239 @default.
- W2973744717 cites W2082808313 @default.
- W2973744717 cites W2083193601 @default.
- W2973744717 cites W2083497220 @default.
- W2973744717 cites W2084856161 @default.
- W2973744717 cites W2089680358 @default.
- W2973744717 cites W2100788506 @default.
- W2973744717 cites W2130023127 @default.
- W2973744717 cites W2152670533 @default.
- W2973744717 cites W2335113258 @default.
- W2973744717 cites W2513598736 @default.
- W2973744717 cites W2731840337 @default.
- W2973744717 cites W2757923460 @default.
- W2973744717 cites W2790184037 @default.
- W2973744717 cites W33036897 @default.
- W2973744717 cites W4252598364 @default.
- W2973744717 cites W2603271461 @default.
- W2973744717 doi "https://doi.org/10.1016/j.molstruc.2019.127058" @default.
- W2973744717 hasPublicationYear "2020" @default.
- W2973744717 type Work @default.
- W2973744717 sameAs 2973744717 @default.
- W2973744717 citedByCount "8" @default.
- W2973744717 countsByYear W29737447172020 @default.
- W2973744717 countsByYear W29737447172021 @default.
- W2973744717 countsByYear W29737447172022 @default.
- W2973744717 countsByYear W29737447172023 @default.
- W2973744717 crossrefType "journal-article" @default.
- W2973744717 hasAuthorship W2973744717A5006569528 @default.
- W2973744717 hasAuthorship W2973744717A5009576349 @default.
- W2973744717 hasAuthorship W2973744717A5023019077 @default.
- W2973744717 hasAuthorship W2973744717A5036370928 @default.
- W2973744717 hasAuthorship W2973744717A5059169318 @default.
- W2973744717 hasAuthorship W2973744717A5087016714 @default.
- W2973744717 hasConcept C121332964 @default.
- W2973744717 hasConcept C178790620 @default.
- W2973744717 hasConcept C185592680 @default.
- W2973744717 hasConcept C2778150588 @default.
- W2973744717 hasConcept C32909587 @default.
- W2973744717 hasConcept C4839761 @default.
- W2973744717 hasConcept C62520636 @default.
- W2973744717 hasConcept C71240020 @default.
- W2973744717 hasConcept C75473681 @default.
- W2973744717 hasConcept C8010536 @default.
- W2973744717 hasConcept C83263248 @default.
- W2973744717 hasConceptScore W2973744717C121332964 @default.
- W2973744717 hasConceptScore W2973744717C178790620 @default.
- W2973744717 hasConceptScore W2973744717C185592680 @default.
- W2973744717 hasConceptScore W2973744717C2778150588 @default.
- W2973744717 hasConceptScore W2973744717C32909587 @default.
- W2973744717 hasConceptScore W2973744717C4839761 @default.
- W2973744717 hasConceptScore W2973744717C62520636 @default.
- W2973744717 hasConceptScore W2973744717C71240020 @default.
- W2973744717 hasConceptScore W2973744717C75473681 @default.
- W2973744717 hasConceptScore W2973744717C8010536 @default.
- W2973744717 hasConceptScore W2973744717C83263248 @default.
- W2973744717 hasFunder F4320327643 @default.
- W2973744717 hasLocation W29737447171 @default.
- W2973744717 hasOpenAccess W2973744717 @default.
- W2973744717 hasPrimaryLocation W29737447171 @default.
- W2973744717 hasRelatedWork W1551315369 @default.
- W2973744717 hasRelatedWork W1994054152 @default.
- W2973744717 hasRelatedWork W2027757516 @default.
- W2973744717 hasRelatedWork W2031678205 @default.
- W2973744717 hasRelatedWork W2155243413 @default.