Experimental and Theoretical Spectroscopic Study of Thione-Thiol Tautomerism of New Hybrides 1,3,4-Oxadiazole-2-thion with Acridine-9(10H)-one

Authors: Karpenko, Yuriy, Omelyanchik, Lyudmila, Panasenko, Tamara

Contributors: Zaporizhzhia National University

Source: Chemistry & Chemical Technology. 12:419-428

Subject Terms: акридин-9(10H)-он, молекулярні орбіталі, quantum-chemical calculations, UV-spectroscopy, molecular orbitals, УФ-спектроскопія, acridine-9(10H)-one, 4- oxadiazole-2-thione, 01 natural sciences, 0104 chemical sciences, 4-oxadiazole, 4-оксадіазол-2-тіон, квантово-хімічні розрахунки, 4-оксадіазол

File Description: application/pdf; image/png

Access URL: http://science2016.lp.edu.ua/sites/default/files/Full_text_of_%20papers/full_text_893.pdf
https://ena.lpnu.ua/handle/ntb/45192

Experimental and theoretical spectroscopic study of thione-thiol tautomerism of new hybrides 1,3,4-oxadiazole-2-thion with acridine-9(10H)-one ; Експериментальне і теоретичне спектроскопічне дослідження тіон-тіольної таутомерії нових гібридів 1,3,4-оксадіазол-2-тіону з акридин-9(10H)-оном

Authors: Karpenko, Yuriy, Omelyanchik, Lyudmila, Panasenko, Tamara

Contributors: Zaporizhzhia National University

Subject Terms: акридин-9(10H)-он, 4-оксадіазол, 4-оксадіазол-2-тіон, УФ-спектроскопія, молекулярні орбіталі, квантово-хімічні розрахунки, acridine-9(10H)-one, 4-oxadiazole, 4- oxadiazole-2-thione, UV-spectroscopy, molecular orbitals, quantum-chemical calculations

Subject Geographic: Lviv

Time: 1, 3

File Description: 419-428; application/pdf; image/png

Relation: Chemistry & Chemical Technology, 4 (12), 2018; https://doi.org/10.1002/jps.2600550803; https://doi.org/10.1016/j.bmcl.2006.10.072; https://doi.org/10.1016/j.ejmech.2009.10.042; https://doi.org/10.24959/ophcj.17.917; https://doi.org/10.1080/1047840X.2011.544635; https://doi.org/10.1021/ja1097594; https://doi.org/10.1021/ja203483j; https://doi.org/10.1021/cr200177j; https://doi.org/10.1016/S0301-0104(03)00388-4; https://doi.org/10.1126/science.1104038; https://doi.org/10.1063/1.1603740; https://doi.org/10.1021/ja010893a; https://doi.org/10.1016/S0301-0104(03)00173-3; https://doi.org/10.1021/jp060821b; https://doi.org/10.1002/hc.20433; https://doi.org/10.1021/jp972825+; https://doi.org/10.1002/jhet.5570270204; https://doi.org/10.1002/jhet.5570280451; https://doi.org/10.1016/0010-8545(95)01233-8; https://doi.org/10.1016/S0010-8545(97)90167-3; https://doi.org/10.3390/10020475; https://doi.org/10.1002/jhet.5570310653; https://doi.org/10.1002/jhet.5570340612; https://doi.org/10.1021/cr300122t; https://doi.org/10.3390/molecules170910192; https://doi.org/10.3987/COM-08-S(F)80; https://doi.org/10.3987/COM-09-S(S)83; https://doi.org/10.1021/jf0201677; https://doi.org/10.1016/j.arabjc.2010.06.001; https://doi.org/10.1021/ct700248k; https://doi.org/10.1002/jcc.1058; https://doi.org/10.1021/ct300382a; https://doi.org/10.1021/j150665a017; http://webbook.nist.gov/cgi/cbook.cgi?ID=C578950&Mask=400#UV-Vis-Spec; https://doi.org/10.1016/j.saa.2011.01.023; https://doi.org/10.1002/jrs.2145; https://doi.org/10.1016/j.saa.2009.02.022; [1] Svoboda G., Poore G., Simpson P., Boder G.: J. 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Food Chem., 2002, 50, 3757.https://doi.org/10.1021/jf0201677; [35] Salimon J., Salih N., Yousif E., Arab. J. Chem., 2010, 3, 205.https://doi.org/10.1016/j.arabjc.2010.06.001; [36] Frisch Æ., Gaussian 09WReference, Gaussian, Inc., Wallingford, CT, 2009.; [38] Tirado-Rives J., Jorgensen W., J. Chem. Theory Comput.,2008, 4, 297. https://doi.org/10.1021/ct700248k; [39] Rassolov V., Ratner M., Pople J. et al., J. Comp. Chem., 2001,22, 976. https://doi.org/10.1002/jcc.1058; [40] CaricatoM., J. Chem. Theory Comput., 2012, 8, 5081.https://doi.org/10.1021/ct300382a; [41] Pyykko P., Laaksonen L., J. Phys. Chem., 1984, 88, 4892.https://doi.org/10.1021/j150665a017; [42]Meison S., Elektronnye Spektry Pogloshheniya Heterotsiklicheskikh Soedinenij. Khimiya, Moskva 1966.; [43] Zhirov N., Lyuminofory. Svetyashhiesya Tverdye Sostavy. Gos. izd-vo oboron. prom., Moskva 1940.; [44] http://webbook.nist.gov/cgi/cbook.cgi?ID=P.578950&Mask=400#UV-Vis-Spec; [45] Antsyferov Y., Dielektrycheskye svoistva vodnykh rastorov soley shchelochnykh metalov, halohennoodorodnykh kyslot i shchelochei. PhD thesis, Irkutsk 2006.; [46] AmalanathanM., Rastogi V., Joe I. et al., Spectrochim Acta A,2011, 78, 1437. https://doi.org/10.1016/j.saa.2011.01.023; [47] Padmaja L., Ravi Kumar C., Sajan D. et al., J. Raman Spect.,2009, 40, 419. https://doi.org/10.1002/jrs.2145; [48] Sagdinc S., Pir H., Spectrochim. Acta A, 2009, 73, 181.https://doi.org/10.1016/j.saa.2009.02.022; 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.; https://ena.lpnu.ua/handle/ntb/45192

Availability: https://ena.lpnu.ua/handle/ntb/45192

Відновлення молекулярного кисню на поверхні шпінелі NiCo 2 O 4 ; Reduction of molecular oxygen on the surface spinel NiCо 2 O 4 ; Восстановление молекулярного кислорода на поверхности шпинели NiCo 2 O 4

Authors: Каташинський, А. С., Барсуков, В. З., Сеник, І. В.

Subject Terms: spinel NiCo 2 O 4, molecular clusters, the energy of chemisorption, the electron density, reaction mechanism, limiting molecular orbitals, шпинель NiCo 2 O 4, молекулярный кластер, энергия хемосорбции, электронная плотность, механизм реакции, предельные молекулярные орбитали, шпінель NiCo 2 O 4, молекулярний кластер, енергія хемосорбції, електронна густина, механізм реакції, граничні молекулярні орбіталі

Relation: https://er.knutd.edu.ua/handle/123456789/151

Availability: https://er.knutd.edu.ua/handle/123456789/151

Польові транзистори за концепцією «знизу-вверх»: теоретичні основи і фізичні принципи

Authors: Дзюба, С.С

Subject Terms: польові транзистори, молекулярна електроніка, молекулярні орбіталі, молекулярні транзистори

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Relation: http://essuir.sumdu.edu.ua/handle/123456789/69300

Availability: http://essuir.sumdu.edu.ua/handle/123456789/69300