New Oxymederivatives of Perfluorinated 1,3-Diketone: Synthesis, Properties, Studies by DFT and TD-DFT Methods

被引：0

作者：

Volkova, D. S. ^{[1
]}

Ivanenko, T. Y. ^{[1
]}

Kukushkin, A. A. ^{[3
]}

Root, E. V. ^{[3
,4
]}

Oberenko, A. V. ^{[2
,5
]}

Lutoshkin, M. A. ^{[1
]}

机构：

[1] RAS, Inst Chem & Chem Technol, Krasnoyarsk Sci Ctr, SB,Fed Res Ctr, Krasnoyarsk 660036, Russia

[2] Siberian Fed Univ, Krasnoyarsk 660041, Russia

[3] Reshetnev Siberian State Univ Sci & Technol, Krasnoyarsk 660037, Russia

[4] Krasnoyarsk State Med Univ, Krasnoyarsk 660022, Russia

[5] Russian Minist Internal Affairs Siberian Fed Dist, Criminal Expertise Ctr, Directorate Law Enforcement Transport Means, Krasnoyarsk 660058, Russia

来源：

RUSSIAN JOURNAL OF ORGANIC CHEMISTRY | 2023年 / 59卷 / 08期

关键词：

trifluorinated diketones; nitrosation; nitrosodicetones; diketone oximes; DFT; TD-DFT; NMR; BASIS-SETS; BORON;

D O I：

10.1134/S1070428023080110

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A number of hitherto unknown trifluorinated beta-diketone oxymes were obtained by direct nitrosation with sodium nitrite in an acidic medium. 4,4,4-Trifluoro-2-(hydroxyimino)-1-(thiophene-2-yl)butane-1,3-dione and 4,4,4-trifluoro-2-(hydroxyimino)-1-phenylbutane-1,3-dione have been characterized by various physicochemical methods. The structure of the formed compounds was confirmed using FTIR, UV-visible spectroscopy, NMR and GC-MS. The spectral characteristics of the obtained compounds were modeled using DFT and TD-DFT calculations.

引用

页码：1363 / 1369

页数：7

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