Kazan Federal University Digital Repository

Spin Crossover [Fe(qsal)2]X (X = Cl, SCN, CF3SO3) Complexes: EPR and DFT Study

Show simple item record

dc.contributor.author Ivanova T.
dc.contributor.author Ovchinnikov I.
dc.contributor.author Garipov R.
dc.contributor.author Ivanova G.
dc.date.accessioned 2018-09-18T20:10:47Z
dc.date.available 2018-09-18T20:10:47Z
dc.date.issued 2011
dc.identifier.issn 0937-9347
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/137313
dc.description.abstract The compounds [Fe(qsal)2]X (X = Cl, SCN, CF3SO3) were synthesized and investigated by electron paramagnetic resonance (EPR). The dependence of the Fe(III) spin state on the type of counterion X and on the temperature was established. On the basis of the density functional calculations, the geometrical parameters of compounds in high- and low-spin states were optimized and the difference in their internal energies was calculated. A correlation between the experimental EPR data and the theoretically calculated energy difference between the high-spin and the low-spin states of the compounds with different anions was obtained. © 2010 Springer-Verlag.
dc.relation.ispartofseries Applied Magnetic Resonance
dc.title Spin Crossover [Fe(qsal)2]X (X = Cl, SCN, CF3SO3) Complexes: EPR and DFT Study
dc.type Article
dc.relation.ispartofseries-issue 1
dc.relation.ispartofseries-volume 40
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 1
dc.source.id SCOPUS09379347-2011-40-1-SID79951517025


Files in this item

This item appears in the following Collection(s)

  • Публикации сотрудников КФУ Scopus [24551]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

Show simple item record

Search DSpace


Advanced Search

Browse

My Account

Statistics