About: Thiocyanation of closo-Dodecaborate B12H12 2-. A Novel Synthetic Route and Theoretical Elucidation of the Reaction Mechanism

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About: Thiocyanation of closo-Dodecaborate B12H12 2-. A Novel Synthetic Route and Theoretical Elucidation of the Reaction Mechanism Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Novel and more convenient synthetic route for the thiocyanation of B12 H12 2- is presented in which /in situ /generated thiocyanogen (SCN)2 is used as the reagent. The synthesized disubstituted product B12 H10 (SCN)2 -2- is exclusively the /meta/ positional isomer as confirmed by the X-ray crystallographic analysis. The quantum chemical calculations yielded a clear and consistent picture of the electrophilic substitution (S-E ) reaction mechanism of the thiocyanation of B12H12 2- , thus broadening our understanding of boron hydride reactivity. Novel and more convenient synthetic route for the thiocyanation of B12 H12 2- is presented in which /in situ /generated thiocyanogen (SCN)2 is used as the reagent. The synthesized disubstituted product B12 H10 (SCN)2 -2- is exclusively the /meta/ positional isomer as confirmed by the X-ray crystallographic analysis. The quantum chemical calculations yielded a clear and consistent picture of the electrophilic substitution (S-E ) reaction mechanism of the thiocyanation of B12H12 2- , thus broadening our understanding of boron hydride reactivity. (en)
Title	Thiocyanation of closo-Dodecaborate B12H12 2-. A Novel Synthetic Route and Theoretical Elucidation of the Reaction Mechanism Thiocyanation of closo-Dodecaborate B12H12 2-. A Novel Synthetic Route and Theoretical Elucidation of the Reaction Mechanism (en)
skos:prefLabel	Thiocyanation of closo-Dodecaborate B12H12 2-. A Novel Synthetic Route and Theoretical Elucidation of the Reaction Mechanism Thiocyanation of closo-Dodecaborate B12H12 2-. A Novel Synthetic Route and Theoretical Elucidation of the Reaction Mechanism (en)
skos:notation	RIV/61388980:_____/10:00346285!RIV11-MSM-61388980
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAAX00320901), P(LC512), P(LC523), Z(AV0Z40320502), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	11
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Grüner, Bohumír Plešek, Jaromír Hnyk, Drahomír
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav anorganické chemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	292808
http://linked.open...ai/riv/idVysledku	RIV/61388980:_____/10:00346285
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	thiocyanation; closo-dodecaborate; reaction mechanism; theoretical calculations (en)
http://linked.open.../riv/klicoveSlovo	closo-dodecaborate thiocyanation theoretical calculations reaction mechanism
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[91B22D793273]
http://linked.open...i/riv/nazevZdroje	Inorganic Chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	8 (xsd:int)
http://linked.open...vavai/riv/projekt	Perspective inorganic materials Functionalized boron clusters as viral enzyme inhihitors Center for biomolecules and complex molecular systems
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	49
http://linked.open...iv/tvurceVysledku	Buděšínský, Miloš Grüner, Bohumír Lepšík, Martin Plešek, Jaromír Rulíšek, Lubomír Klepetářová, Blanka Hnyk, Drahomír Srnec, Martin
http://linked.open...ain/vavai/riv/wos	000278110100048
http://linked.open...n/vavai/riv/zamer	Design, syntéza a charakterizace klastrů, kompozitů, komplexů a dalších sloučenin na bázi anorganických látek; mechanismy a kinetika jejich interakcí Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	0020-1669
number of pages	9 (xsd:int)

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