About: Exo-substituent effects in halogenated icosahedral (B12H12 2 - ) and octahedral (B6H6 2 - ) closo-borane skeletons: Chemical reactivity studied by experimental and quantum chemical methods

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About: Exo-substituent effects in halogenated icosahedral (B12H12 2 - ) and octahedral (B6H6 2 - ) closo-borane skeletons: Chemical reactivity studied by experimental and quantum chemical methods Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The exo-substituent effects in halogenated icosahedral B12H122- (B12) and octahedral B6H62- (B6) closo-borane skeletons were studied both experimentally and theoretically. Namely, we investigated experimentally the halogenation reactions of B12 and attempted to explain the observed ratios between the two obtained di-substituted products (meta:ortho - 4:1) by calculating their thermodynamic stabilities using the DFT/B3LYP method. The exo-substituent effects in halogenated icosahedral B12H122- (B12) and octahedral B6H62- (B6) closo-borane skeletons were studied both experimentally and theoretically. Namely, we investigated experimentally the halogenation reactions of B12 and attempted to explain the observed ratios between the two obtained di-substituted products (meta:ortho - 4:1) by calculating their thermodynamic stabilities using the DFT/B3LYP method. (en)
Title	Exo-substituent effects in halogenated icosahedral (B12H12 2 - ) and octahedral (B6H6 2 - ) closo-borane skeletons: Chemical reactivity studied by experimental and quantum chemical methods Exo-substituent effects in halogenated icosahedral (B12H12 2 - ) and octahedral (B6H6 2 - ) closo-borane skeletons: Chemical reactivity studied by experimental and quantum chemical methods (en)
skos:prefLabel	Exo-substituent effects in halogenated icosahedral (B12H12 2 - ) and octahedral (B6H6 2 - ) closo-borane skeletons: Chemical reactivity studied by experimental and quantum chemical methods Exo-substituent effects in halogenated icosahedral (B12H12 2 - ) and octahedral (B6H6 2 - ) closo-borane skeletons: Chemical reactivity studied by experimental and quantum chemical methods (en)
skos:notation	RIV/61388980:_____/09:00326458!RIV10-MSM-61388980
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(LC512), P(LC523), Z(AV0Z40320502), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2010
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	314150
http://linked.open...ai/riv/idVysledku	RIV/61388980:_____/09:00326458
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	boranes; boron clusters; halogenations; DFT; ab initio calculations (en)
http://linked.open.../riv/klicoveSlovo	boranes ab initio calculations boron clusters DFT halogenations
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[13CF12ECD7C3]
http://linked.open...i/riv/nazevZdroje	Collection of Czechoslovak Chemical Communications
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...vavai/riv/projekt	Perspective inorganic materials Center for biomolecules and complex molecular systems
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	74
http://linked.open...iv/tvurceVysledku	Grüner, Bohumír Lepšík, Martin Plešek, Jaromír Rulíšek, Lubomír Havlas, Zdeněk Hnyk, Drahomír Srnec, Martin
http://linked.open...ain/vavai/riv/wos	000265420500001
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	0010-0765
number of pages	27 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Exo-substituent effects in halogenated icosahedral (B12H12 2 - ) and octahedral (B6H6 2 - ) closo-borane skeletons: Chemical reactivity studied by experimental and quantum chemical methods Exo-substituent effects in halogenated icosahedral (B12H12 2 - ) and octahedral (B6H6 2 - ) closo-borane skeletons: Chemical reactivity studied by experimental and quantum chemical methods Exo-substituent effects in halogenated icosahedral (B12H12 2 - ) and octahedral (B6H6 2 - ) closo-borane skeletons: Chemical reactivity studied by experimental and quantum chemical methods Exo-substituent effects in halogenated icosahedral (B12H12 2 - ) and octahedral (B6H6 2 - ) closo-borane skeletons: Chemical reactivity studied by experimental and quantum chemical methods

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