| DC Field | Value | Language |
|---|
| dc.contributor.author | Karpenko, Yuriy | |
| dc.contributor.author | Omelyanchik, Lyudmila | |
| dc.contributor.author | Panasenko, Tamara | |
| dc.date.accessioned | 2019-06-21T07:57:45Z | - |
| dc.date.available | 2019-06-21T07:57:45Z | - |
| dc.date.created | 2018-01-20 | |
| dc.date.issued | 2018-01-20 | |
| dc.identifier.citation | Karpenko Y. Experimental and theoretical spectroscopic study of thione-thiol tautomerism of new hybrides 1,3,4-oxadiazole-2-thion with acridine-9(10H)-one / Yuriy Karpenko, Lyudmila Omelyanchik, Tamara Panasenko // Chemistry & Chemical Technology. — Lviv : Lviv Politechnic Publishing House, 2018. — Vol 12. — No 4. — P. 419–428. | |
| dc.identifier.uri | https://ena.lpnu.ua/handle/ntb/45192 | - |
| dc.description.abstract | Здійснено синтез нових гібридів 1,3,4-
оксадіазол-2-тіонів з акридин-9(10H)-оном, структура яких
підтверджена за допомогою хромато-мас-спектрометрії, ІЧ,1H, 13C-спектроскопії. Досліджена тіон-тіольна рівновага у 8
розчинниках з різною діелектричною проникливістю за
допомогою УФ-спектроскопії та методами квантової хімії з
використанням базисів DFT/B3LYP та HF. Результати експе-
риментальних розрахунків узгоджуються з теоретичними та
показали переважання форми тіону. Враховуючи електронні
структурні формули та результати розрахунку зарядів атомів
сполук, встановлені активні центри для реакцій за механізмом
SE та AE. | |
| dc.description.abstract | 1The synthesis of new hybrides 1,3,4-oxadiazol-2-thione with acridine 9(10H)-one is carried out. Their
structure is confirmed by LC-MS, IR-, 1H and 13C NMRspectroscopy.
The thione-thiol equilibrium was investigated
in eight solvents with different relative permittivity
with the help of UV-spectroscopy and quantum chemistry
methods using DFT/B3LYP and HF bases. The results of
the experimental calculations are in agreement with
theoretical ones and have shown the prevalence of the
thione. There were established centers for reactions with
the mechanism SE and AE , taking into account the
electronic structural formulas and the results of calculating
the atom charges of compounds. | |
| dc.format.extent | 419-428 | |
| dc.language.iso | en | |
| dc.publisher | Lviv Politechnic Publishing House | |
| dc.relation.ispartof | Chemistry & Chemical Technology, 4 (12), 2018 | |
| dc.relation.uri | https://doi.org/10.1002/jps.2600550803 | |
| dc.relation.uri | https://doi.org/10.1016/j.bmcl.2006.10.072 | |
| dc.relation.uri | https://doi.org/10.1016/j.ejmech.2009.10.042 | |
| dc.relation.uri | https://doi.org/10.24959/ophcj.17.917 | |
| dc.relation.uri | https://doi.org/10.1080/1047840X.2011.544635 | |
| dc.relation.uri | https://doi.org/10.1021/ja1097594 | |
| dc.relation.uri | https://doi.org/10.1021/ja203483j | |
| dc.relation.uri | https://doi.org/10.1021/cr200177j | |
| dc.relation.uri | https://doi.org/10.1016/S0301-0104(03)00388-4 | |
| dc.relation.uri | https://doi.org/10.1126/science.1104038 | |
| dc.relation.uri | https://doi.org/10.1063/1.1603740 | |
| dc.relation.uri | https://doi.org/10.1021/ja010893a | |
| dc.relation.uri | https://doi.org/10.1016/S0301-0104(03)00173-3 | |
| dc.relation.uri | https://doi.org/10.1021/jp060821b | |
| dc.relation.uri | https://doi.org/10.1002/hc.20433 | |
| dc.relation.uri | https://doi.org/10.1021/jp972825+ | |
| dc.relation.uri | https://doi.org/10.1002/jhet.5570270204 | |
| dc.relation.uri | https://doi.org/10.1002/jhet.5570280451 | |
| dc.relation.uri | https://doi.org/10.1016/0010-8545(95)01233-8 | |
| dc.relation.uri | https://doi.org/10.1016/S0010-8545(97)90167-3 | |
| dc.relation.uri | https://doi.org/10.3390/10020475 | |
| dc.relation.uri | https://doi.org/10.1002/jhet.5570310653 | |
| dc.relation.uri | https://doi.org/10.1002/jhet.5570340612 | |
| dc.relation.uri | https://doi.org/10.1021/cr300122t | |
| dc.relation.uri | https://doi.org/10.3390/molecules170910192 | |
| dc.relation.uri | https://doi.org/10.3987/COM-08-S(F)80 | |
| dc.relation.uri | https://doi.org/10.3987/COM-09-S(S)83 | |
| dc.relation.uri | https://doi.org/10.1021/jf0201677 | |
| dc.relation.uri | https://doi.org/10.1016/j.arabjc.2010.06.001 | |
| dc.relation.uri | https://doi.org/10.1021/ct700248k | |
| dc.relation.uri | https://doi.org/10.1002/jcc.1058 | |
| dc.relation.uri | https://doi.org/10.1021/ct300382a | |
| dc.relation.uri | https://doi.org/10.1021/j150665a017 | |
| dc.relation.uri | http://webbook.nist.gov/cgi/cbook.cgi?ID=C578950&Mask=400#UV-Vis-Spec | |
| dc.relation.uri | https://doi.org/10.1016/j.saa.2011.01.023 | |
| dc.relation.uri | https://doi.org/10.1002/jrs.2145 | |
| dc.relation.uri | https://doi.org/10.1016/j.saa.2009.02.022 | |
| dc.subject | акридин-9(10H)-он | |
| dc.subject | 1 | |
| dc.subject | 3 | |
| dc.subject | 4-оксадіазол | |
| dc.subject | 1 | |
| dc.subject | 3 | |
| dc.subject | 4-оксадіазол-2-тіон | |
| dc.subject | УФ-спектроскопія | |
| dc.subject | молекулярні орбіталі | |
| dc.subject | квантово-хімічні розрахунки | |
| dc.subject | acridine-9(10H)-one | |
| dc.subject | 1 | |
| dc.subject | 3 | |
| dc.subject | 4-oxadiazole | |
| dc.subject | 1 | |
| dc.subject | 3 | |
| dc.subject | 4- oxadiazole-2-thione | |
| dc.subject | UV-spectroscopy | |
| dc.subject | molecular orbitals | |
| dc.subject | quantum-chemical calculations | |
| dc.title | Experimental and theoretical spectroscopic study of thione-thiol tautomerism of new hybrides 1,3,4-oxadiazole-2-thion with acridine-9(10H)-one | |
| dc.title.alternative | Експериментальне і теоретичне спектроскопічне дослідження тіон-тіольної таутомерії нових гібридів 1,3,4-оксадіазол-2-тіону з акридин-9(10H)-оном | |
| dc.type | Article | |
| dc.rights.holder | © Національний університет „Львівська політехніка“, 2018 | |
| dc.rights.holder | ©Karpenko Yu., Omelyanchik L., Panasenko T., 2018 | |
| dc.contributor.affiliation | Zaporizhzhia National University | |
| dc.format.pages | 10 | |
| dc.identifier.citationen | Karpenko Y. Experimental and theoretical spectroscopic study of thione-thiol tautomerism of new hybrides 1,3,4-oxadiazole-2-thion with acridine-9(10H)-one / Yuriy Karpenko, Lyudmila Omelyanchik, Tamara Panasenko // Chemistry & Chemical Technology. — Lviv : Lviv Politechnic Publishing House, 2018. — Vol 12. — No 4. — P. 419–428. | |
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| dc.citation.journalTitle | Chemistry & Chemical Technology | |
| dc.citation.volume | 12 | |
| dc.citation.issue | 4 | |
| dc.citation.spage | 419 | |
| dc.citation.epage | 428 | |
| dc.coverage.placename | Lviv | |
| Appears in Collections: | Chemistry & Chemical Technology. – 2018. – Vol. 12, No. 4
|
