Inorganic Nitrile Halides in the Synthesis of Halogen-, Nitro- and Halogenated Nitro-Products

Проведено теоретическое и экспериментальное изучение неорганических нитрилгалогенидов в реакциях галогенирования, нитрования и нитрогалогенирования аренов и алкинов. Показано, что при использовании системы I2 (Hal") в присутствии нитратов щелочных металлов в среде уксусной кислоты возможно обра...

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Veröffentlicht in:Journal of Siberian Federal University. Chemistry Jg. 14; H. 1; S. 100 - 110
Hauptverfasser: Miroshnichenko, Yulia Yu, Yarkova, Anna G, Perederina, Irina A, Tveryakova, Elena N, Golubina, Olga A, Anisimova, Elena A, Zholobova, Galina A
Format: Journal Article
Sprache:Russisch
Veröffentlicht: Krasnoyarsk Siberian Federal University 01.01.2021
Schlagworte:
Acetic acid
Alkali metals
Alkynes
Aromatic compounds
Chemical reactions
Halogenation
Iodination
Iodine
Mathematical analysis
Metal halides
Metal nitrates
Nitration
Oxidation
Particle decay
Quantum chemistry
ISSN:1998-2836, 2313-6049
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Abstract Проведено теоретическое и экспериментальное изучение неорганических нитрилгалогенидов в реакциях галогенирования, нитрования и нитрогалогенирования аренов и алкинов. Показано, что при использовании системы I2 (Hal") в присутствии нитратов щелочных металлов в среде уксусной кислоты возможно образование нитрилгалогенидов. В зависимости от природы галогенида получены продукты йодирования, нитрования, нитрогалогенирования, циклизации, окисления органических субстратов. Для осуществления направленного синтеза проведены теоретические квантово-химические расчеты промежуточных частиц - нитрилгалогенидов - с использованием стандартного пакета программ Gaussian-03. Расчет показал возможность образования частиц NO2Hal, их геометрию и распад по гомо- или гетеролитическому механизму.
AbstractList Проведено теоретическое и экспериментальное изучение неорганических нитрилгалогенидов в реакциях галогенирования, нитрования и нитрогалогенирования аренов и алкинов. Показано, что при использовании системы I2 (Hal") в присутствии нитратов щелочных металлов в среде уксусной кислоты возможно образование нитрилгалогенидов. В зависимости от природы галогенида получены продукты йодирования, нитрования, нитрогалогенирования, циклизации, окисления органических субстратов. Для осуществления направленного синтеза проведены теоретические квантово-химические расчеты промежуточных частиц - нитрилгалогенидов - с использованием стандартного пакета программ Gaussian-03. Расчет показал возможность образования частиц NO2Hal, их геометрию и распад по гомо- или гетеролитическому механизму.
Author Miroshnichenko, Yulia Yu
Golubina, Olga A
Yarkova, Anna G
Perederina, Irina A
Anisimova, Elena A
Zholobova, Galina A
Tveryakova, Elena N
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SubjectTerms Acetic acid
Alkali metals
Alkynes
Aromatic compounds
Chemical reactions
Halogenation
Iodination
Iodine
Mathematical analysis
Metal halides
Metal nitrates
Nitration
Oxidation
Particle decay
Quantum chemistry
Title Inorganic Nitrile Halides in the Synthesis of Halogen-, Nitro- and Halogenated Nitro-Products
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