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dc.creatorLađarević, Jelena
dc.creatorMijin, Dušan
dc.creatorAntonov, Liudmil
dc.date.accessioned2021-03-10T14:15:11Z
dc.date.available2021-03-10T14:15:11Z
dc.date.issued2020
dc.identifier.issn0143-7208
dc.identifier.urihttp://TechnoRep.tmf.bg.ac.rs/handle/123456789/4380
dc.description.abstractThe tautomerism of 8-(phenyldiazenyl)quinolin-5-ol has been studied by a combination of theoretical (DFT calculations) and experimental (UV-Vis and NMR) methods. The detailed study of neutral molecules has shown that the hydrazone tautomeric form, stabilized by an intramolecular N-HMIDLINE HORIZONTAL ELLIPSISN hydrogen bond, is solely present in most of the solvents. In strong proton acceptor solvents, besides the dominant hydrazone form, the deprotonated form also appears. Solvent effects on the absorption maxima of the hydrazone form are interpreted by the linear solvation energy relationship concept, using Kamlet-Taft and Catalan models. Upon deprotonation, a substantial structural transformation is observed in the studied compound leading to a slow rotation around the Cquin-N bond. The process, as monitored by 1H NMR, is strongly solvent assisted and facilitated by proton acceptor solvents. Consequently, the investigated dye could be considered as a base-activated rotary switch.en
dc.publisherElsevier Sci Ltd, Oxford
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200135/RS//
dc.relationBulgarian National Science FundNational Science Fund of Bulgaria [MolRobot DN09/10]
dc.rightsrestrictedAccess
dc.sourceDyes and Pigments
dc.subjectQuinolineen
dc.subjectAzo dyeen
dc.subjectTautomerismen
dc.subjectRotary switchen
dc.subjectQuantum chemistryen
dc.subjectMolecular spectroscopyen
dc.titleTautomerism in 8-(phenyldiazenyl)quinolin-5-ol: An attempt for pH activated rotary switchen
dc.typearticle
dc.rights.licenseARR
dc.citation.other182: -
dc.citation.rankaM21
dc.citation.volume182
dc.identifier.doi10.1016/j.dyepig.2020.108628
dc.identifier.scopus2-s2.0-85087773860
dc.identifier.wos000564525200003
dc.type.versionpublishedVersion


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