Quantum-chemical investigation of the fast intermolecular proton exchange reactions mechanism in paramagnetic systems

Masalimov, A.S.; Nikolskiy, S.N.; Ralchenko, E.A.; Pustolaykina, I. A.; Tur, A.A.

DSpace Home
→
Қарағанды Университетінің Хабаршысы=Вестник Карагандинского университета
→
Серия "Химия"
→
2014
→
3(75)/2014 - Химия
→
View Item

dc.contributor.author	Masalimov, A.S.
dc.contributor.author	Nikolskiy, S.N.
dc.contributor.author	Ralchenko, E.A.
dc.contributor.author	Pustolaykina, I. A.
dc.contributor.author	Tur, A.A.
dc.date.accessioned	2019-04-02T07:16:32Z
dc.date.available	2019-04-02T07:16:32Z
dc.date.issued	2014-09-30
dc.identifier.citation	Quantum-chemical investigation of the fast intermolecular proton exchange reactions mechanism in paramagnetic systems/A.S.Masalimov[a.o.]//Қарағанды универисетінің хабаршысы. Химия Сериясы.=Вестник Карагандинского университета. Серия Химия.=Bulletin of the Karaganda University. Chemistry Series.-2014.-№3(75).-pp.33-38	ru_RU
dc.identifier.issn	0142-0843
dc.identifier.uri	http://rep.ksu.kz:80//handle/data/4678
dc.description.abstract	For a theoretical interpretation of the fast intermolecular proton exchange (IPE) reaction mechanism by ab initio methods of modern quantum chemistry potential energy surface in the oxymethyl – ammonia acid-base free-radical system was investigated. This system an experimental EPR spectroscopic kinetic data for such reactions in the real liquid phase systems was simulated. The role of short lived intermediates as molecular and ionic complex four-center hydrogen bond due to manage the flow of IPE-fast reactions in the acid-base paramagnetic compounds have been established.	ru_RU
dc.language.iso	en	ru_RU
dc.publisher	KSU publ.	ru_RU
dc.relation.ispartofseries	Chemistry Series;№3(75)
dc.subject	semiquinone radicals	ru_RU
dc.subject	oxymetyl radical	ru_RU
dc.subject	EPR-spectroscopy	ru_RU
dc.subject	intermediate	ru_RU
dc.subject	hydrogen bridge	ru_RU
dc.subject	protolytic reaction	ru_RU
dc.subject	proton exchange reaction	ru_RU
dc.subject	proton transfer proton exchange	ru_RU
dc.subject	quantum chemical calculations	ru_RU
dc.subject	ab initio	ru_RU
dc.subject	potential energy surface	ru_RU
dc.title	Quantum-chemical investigation of the fast intermolecular proton exchange reactions mechanism in paramagnetic systems	ru_RU
dc.type	Article	ru_RU