About: Phosphaborane chemistry. Syntheses and calculated molecular structures of mono- and di-chloro derivatives of 1,2-diphospha-closo-dodecaborane(10).

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About: Phosphaborane chemistry. Syntheses and calculated molecular structures of mono- and di-chloro derivatives of 1,2-diphospha-closo-dodecaborane(10). Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The reaction between nido-B10H14 and PCl3 in the presence of proton sponge (PS = 1,8-bis(dimethylamino) naphthalene) in CH2Cl2 yielded a mixture of icosahedral diphosphaboranes from which 1,2-closo-P2B10H10 (1a) and its mono- and di-chloro derivatives 3-Cl-1,2-closo-P2B10H9 (2a), 4-Cl-1,2-closo-P2B10H9 (2b), 3,6-Cl-2-1,2-closo-P2B10H8 (3a), and 3,4-Cl-2-1,2-closo-P2B10H8 (3b) were isolated together with 4-Cl(CH2)(4)O-1,2-closo-P2B10H10 4 via preparative HPLC. Individual compounds were characterized by NMR (H-1, B-11, P-31) spectroscopy and, except for 4, geometry optimised at the (RMP2(fc)) level with a 6-31G* basis set. The optimisation disclosed considerable distortions of the icosahedral cage as documented by the narrowing of the pentagonal B-P-B angles (ca. 93degrees) and the longer P-P separations (>2.31 Angstrom). In this context, the RMP2(fc)/6-31G* geometries of 1,7-closo-P2B10H10 (1b) and that of the non-isolated 4,5-Cl-2-1,2-closo-P2B10H8 isomer (3c) were also derived. The geometries were us The reaction between nido-B10H14 and PCl3 in the presence of proton sponge (PS = 1,8-bis(dimethylamino) naphthalene) in CH2Cl2 yielded a mixture of icosahedral diphosphaboranes from which 1,2-closo-P2B10H10 (1a) and its mono- and di-chloro derivatives 3-Cl-1,2-closo-P2B10H9 (2a), 4-Cl-1,2-closo-P2B10H9 (2b), 3,6-Cl-2-1,2-closo-P2B10H8 (3a), and 3,4-Cl-2-1,2-closo-P2B10H8 (3b) were isolated together with 4-Cl(CH2)(4)O-1,2-closo-P2B10H10 4 via preparative HPLC. Individual compounds were characterized by NMR (H-1, B-11, P-31) spectroscopy and, except for 4, geometry optimised at the (RMP2(fc)) level with a 6-31G* basis set. The optimisation disclosed considerable distortions of the icosahedral cage as documented by the narrowing of the pentagonal B-P-B angles (ca. 93degrees) and the longer P-P separations (>2.31 Angstrom). In this context, the RMP2(fc)/6-31G* geometries of 1,7-closo-P2B10H10 (1b) and that of the non-isolated 4,5-Cl-2-1,2-closo-P2B10H8 isomer (3c) were also derived. The geometries were us (en)
Title	Phosphaborane chemistry. Syntheses and calculated molecular structures of mono- and di-chloro derivatives of 1,2-diphospha-closo-dodecaborane(10). Phosphaborane chemistry. Syntheses and calculated molecular structures of mono- and di-chloro derivatives of 1,2-diphospha-closo-dodecaborane(10). (en)
skos:prefLabel	Phosphaborane chemistry. Syntheses and calculated molecular structures of mono- and di-chloro derivatives of 1,2-diphospha-closo-dodecaborane(10). Phosphaborane chemistry. Syntheses and calculated molecular structures of mono- and di-chloro derivatives of 1,2-diphospha-closo-dodecaborane(10). (en)
skos:notation	RIV/61388980:_____/02:50023048!RIV/2003/GA0/A50003/N
http://linked.open.../vavai/riv/strany	2954;2959
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/00/1042), P(GA203/99/M037), P(LN00A028), Z(AV0Z4032918), Z(MSM 113100001)
http://linked.open...iv/cisloPeriodika	15
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Plzák, Zbyněk Štíbr, Bohumil Grüner, Bohumír 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	658170
http://linked.open...ai/riv/idVysledku	RIV/61388980:_____/02:50023048
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	crystal-structure; phosphacarborane chemistry; polyhedral phosphaboranes (en)
http://linked.open.../riv/klicoveSlovo	crystal-structure phosphacarborane chemistry polyhedral phosphaboranes
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[DA2D4736D755]
http://linked.open...i/riv/nazevZdroje	Journal of the Chemical Society ,Dalton Transactions
http://linked.open...in/vavai/riv/obor	CA
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	New inorganic compounds and advanced materials Metal complexation reactions of 9-11 vertex tricarba-, tetracarba- and carbaheteroborane ligands leading to metallaborane clusters with low boron content Centre of molecular and crystal structures
http://linked.open...UplatneniVysledku	2002
http://linked.open...v/svazekPeriodika	N/A
http://linked.open...iv/tvurceVysledku	Císařová, I. Grüner, Bohumír Štíbr, Bohumil Plzák, Zbyněk Hnyk, Drahomír
http://linked.open...n/vavai/riv/zamer	Synthesis and structure of novel (inorganic) compounds, clusters and composites; mechanisms of conversion and transfer in systems involving inorganic substance http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20113100001
issn	1472-7773
number of pages	6 (xsd:int)

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