About: New route to 1-thia-closo-dodecaborane(11), closo-1-SB11H11, and its halogenation reactions. The effect of the halogen on the dipole moments and the NMR spectra and the importance of spin-orbit coupling for the B-11 chemical shifts

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About: New route to 1-thia-closo-dodecaborane(11), closo-1-SB11H11, and its halogenation reactions. The effect of the halogen on the dipole moments and the NMR spectra and the importance of spin-orbit coupling for the B-11 chemical shifts Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Byla vypracována nová cesta přípravy 1-SB11H11 a zkoumány jeho halogenační reakce. (cs) Reaction between nido-B10H14 (1) and elemental sulfur in CHCl3, in the presence of Et3N at room temperature, followed by treatment with Et3N center dot BH3 at 170-190 degrees C, resulted in the isolation of closo-1-SB11H11 (2) in 50 percent yield. Selected electrophilic halogenation reactions of compound 2 led to the isolation of a series of monoltalogenated derivatives of general constitution. Experimental B-11 chemical shifts generally show acceptable agreement with theoretical values calculated by GIAO methods, but spin-orbit coupling must be included for nuclei bearing heavy-atom substituents such as Br or I. Reaction between nido-B10H14 (1) and elemental sulfur in CHCl3, in the presence of Et3N at room temperature, followed by treatment with Et3N center dot BH3 at 170-190 degrees C, resulted in the isolation of closo-1-SB11H11 (2) in 50 percent yield. Selected electrophilic halogenation reactions of compound 2 led to the isolation of a series of monoltalogenated derivatives of general constitution. Experimental B-11 chemical shifts generally show acceptable agreement with theoretical values calculated by GIAO methods, but spin-orbit coupling must be included for nuclei bearing heavy-atom substituents such as Br or I. (en)
Title	New route to 1-thia-closo-dodecaborane(11), closo-1-SB11H11, and its halogenation reactions. The effect of the halogen on the dipole moments and the NMR spectra and the importance of spin-orbit coupling for the B-11 chemical shifts New route to 1-thia-closo-dodecaborane(11), closo-1-SB11H11, and its halogenation reactions. The effect of the halogen on the dipole moments and the NMR spectra and the importance of spin-orbit coupling for the B-11 chemical shifts (en) Nová cesta k 1-thia-closo-dodecaborane(11) a jeho halogenační reakce. Vliv halogenu na dipólmomenty a NMR spektra. Důležitost spin-orbitálního kaplingu a NMR posuny (cs)
skos:prefLabel	New route to 1-thia-closo-dodecaborane(11), closo-1-SB11H11, and its halogenation reactions. The effect of the halogen on the dipole moments and the NMR spectra and the importance of spin-orbit coupling for the B-11 chemical shifts New route to 1-thia-closo-dodecaborane(11), closo-1-SB11H11, and its halogenation reactions. The effect of the halogen on the dipole moments and the NMR spectra and the importance of spin-orbit coupling for the B-11 chemical shifts (en) Nová cesta k 1-thia-closo-dodecaborane(11) a jeho halogenační reakce. Vliv halogenu na dipólmomenty a NMR spektra. Důležitost spin-orbitálního kaplingu a NMR posuny (cs)
skos:notation	RIV/61388980:_____/06:00040393!RIV07-MSM-61388980
http://linked.open.../vavai/riv/strany	1024;1029
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/99/M037), P(LC523), Z(AV0Z40320502)
http://linked.open...iv/cisloPeriodika	8
http://linked.open...vai/riv/dodaniDat	2007
http://linked.open...aciTvurceVysledku	Holub, Josef Štíbr, Bohumil Plešek, Jaromír Hnyk, Drahomír Macháček, Jan
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	488600
http://linked.open...ai/riv/idVysledku	RIV/61388980:_____/06:00040393
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	magnetic-resonance spectroscopy; phosphadicarbaboranes; density-functional theory (en)
http://linked.open.../riv/klicoveSlovo	magnetic-resonance spectroscopy phosphadicarbaboranes density-functional theory
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[17CE4F707D93]
http://linked.open...i/riv/nazevZdroje	Dalton Transactions
http://linked.open...in/vavai/riv/obor	CA
http://linked.open...ichTvurcuVysledku	5 (xsd:int)
http://linked.open...cetTvurcuVysledku	8 (xsd:int)
http://linked.open...vavai/riv/projekt	Perspective inorganic materials Centre of molecular and crystal structures
http://linked.open...UplatneniVysledku	2006
http://linked.open...v/svazekPeriodika	-
http://linked.open...iv/tvurceVysledku	Císařová, I. Holub, Josef Macháček, Jan Plešek, Jaromír Štíbr, Bohumil Hnyk, Drahomír Kaupp, M. Všetečka, V.
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
issn	1477-9226
number of pages	5 (xsd:int)

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