Пожалуйста, используйте этот идентификатор, чтобы цитировать или ссылаться на этот ресурс:
http://earchive.tpu.ru/handle/11683/15071
Полная запись метаданных
Поле DC | Значение | Язык |
---|---|---|
dc.contributor.author | Bochkarev, Valery Vladimirovich | ru |
dc.contributor.author | Soroka, Ludmila Stanislavovna | ru |
dc.contributor.author | Klimova, T. A. | ru |
dc.contributor.author | Velikorechina, L. E. | ru |
dc.date.accessioned | 2016-03-18T07:59:18Z | - |
dc.date.available | 2016-03-18T07:59:18Z | - |
dc.date.issued | 2015 | - |
dc.identifier.citation | Modeling of Condensation Reaction of Aniline to Diphenylamine by PM7 Method / V. V. Bochkarev [et al.] // Procedia Chemistry. — 2015. — Vol. 15 : Chemistry and Chemical Engineering in XXI century (CCE 2015) : XVI International Scientific Conference dedicated to Professor L.P. Kulyov, 25-29 May 2015, Tomsk, Russia. — [P. 320-325]. | ru |
dc.identifier.uri | http://earchive.tpu.ru/handle/11683/15071 | - |
dc.description.abstract | Modeling of the condensation reaction to diphenylamine was carried out by PM7 method with acid catalysts: tetrafluoroborate, oxytrifluoroborate and anilinium oxytetratrifluoroborate. The calculated data prove that the formation of a few protonated forms of aniline is possible during the reaction of aniline with acids. Only positively charged p- and o-[sigma]-complexes are capable of further interaction with aniline. The stage of intramolecular proton transfer from the primary to the secondary amino groups of intermediates of aniline reaction with proton aniline ?-complex determines the condensation rate of aniline to diphenylamine with acid catalysts. A catalyst anion can form ionic and ion-dipole complexes with reaction mixture components and can influence the distribution of electron density in reactants and their reactivity with its field. | ru |
dc.language.iso | en | en |
dc.publisher | Elsevier | ru |
dc.relation.ispartof | Procedia Chemistry. Vol. 15 : Chemistry and Chemical Engineering in XXI century (CCE 2015). — Amsterdam, 2015. | ru |
dc.rights | info:eu-repo/semantics/openAccess | en |
dc.subject | анилины | ru |
dc.subject | дифениламин | ru |
dc.subject | конденсация | ru |
dc.subject | механизмы | ru |
dc.subject | моделирование | ru |
dc.title | Modeling of Condensation Reaction of Aniline to Diphenylamine by PM7 Method | ru |
dc.type | Conference Paper | en |
dc.type | info:eu-repo/semantics/publishedVersion | en |
dc.type | info:eu-repo/semantics/conferencePaper | en |
dcterms.audience | Researches | en |
local.department | Национальный исследовательский Томский политехнический университет (ТПУ)::Институт природных ресурсов (ИПР)::Кафедра технологии органических веществ и полимерных материалов (ТОВПМ) | ru |
local.description.firstpage | 320 | - |
local.description.lastpage | 325 | - |
local.filepath | http://dx.doi.org/10.1016/j.proche.2015.10.051 | - |
local.identifier.bibrec | RU\TPU\network\10478 | - |
local.identifier.colkey | RU\TPU\col\18659 | - |
local.identifier.perskey | RU\TPU\pers\31996 | - |
local.identifier.perskey | RU\TPU\pers\31295 | - |
local.localtype | Доклад | ru |
local.volume | 152015 | - |
local.conference.name | Chemistry and Chemical Engineering in XXI century | - |
local.conference.date | 2015 | - |
dc.identifier.doi | 10.1016/j.proche.2015.10.051 | - |
Располагается в коллекциях: | Материалы конференций |
Файлы этого ресурса:
Файл | Описание | Размер | Формат | |
---|---|---|---|---|
j.proche.2015.10.051.pdf | 650,3 kB | Adobe PDF | Просмотреть/Открыть |
Все ресурсы в архиве электронных ресурсов защищены авторским правом, все права сохранены.