About: Dimeric Pd(II) and Pt(II) chloride organometallics with 2-phenylpyridine and their solvolysis in dimethylsulfoxide

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About: Dimeric Pd(II) and Pt(II) chloride organometallics with 2-phenylpyridine and their solvolysis in dimethylsulfoxide Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://dx.doi.org/10.1016/j.jorganchem.2014.02.016
Description	Pd(II) and Pt(II) chloride organometallics with the deprotonated, N(1), C(2’)-chelating form of 2-phenylpyridine (2ppy), i.e. [Pd(2ppy)(Cl)]2 (1) and [Pt(2ppy)(Cl)]2 (2), were studied by 1H, 13C, 15N, and 195Pt NMR in DMF-d7 and by 15N CP/MAS in the solid state. Both dimers immediately decompose in DMSO-d6, however, the products of this process are entirely different for 1 and 2. The cleavage of 1 is unusual among all described [M(2ppy)(X)]2 dimeric compounds as it yields, most likely, the [Pd(2ppy)(DMSO-d6)2]+ [Pd(2ppy)Cl2] ionic pair, whereas 2 is known to undergo a more classical conversion into trans(S,N)-[Pt(2ppy)(DMSO-d6)Cl]. The conclusions formulated for the above ionic pair were supported by quantum-chemical NMR calculations, calibrated specifically for this class of compounds (geometry optimization tested on molecular cluster, calibration of exact-exchange admixture in the PBE0 functional). The proposed computational approach is shown to be valid and suitable also for similar systems. Pd(II) and Pt(II) chloride organometallics with the deprotonated, N(1), C(2’)-chelating form of 2-phenylpyridine (2ppy), i.e. [Pd(2ppy)(Cl)]2 (1) and [Pt(2ppy)(Cl)]2 (2), were studied by 1H, 13C, 15N, and 195Pt NMR in DMF-d7 and by 15N CP/MAS in the solid state. Both dimers immediately decompose in DMSO-d6, however, the products of this process are entirely different for 1 and 2. The cleavage of 1 is unusual among all described [M(2ppy)(X)]2 dimeric compounds as it yields, most likely, the [Pd(2ppy)(DMSO-d6)2]+ [Pd(2ppy)Cl2] ionic pair, whereas 2 is known to undergo a more classical conversion into trans(S,N)-[Pt(2ppy)(DMSO-d6)Cl]. The conclusions formulated for the above ionic pair were supported by quantum-chemical NMR calculations, calibrated specifically for this class of compounds (geometry optimization tested on molecular cluster, calibration of exact-exchange admixture in the PBE0 functional). The proposed computational approach is shown to be valid and suitable also for similar systems. (en)
Title	Dimeric Pd(II) and Pt(II) chloride organometallics with 2-phenylpyridine and their solvolysis in dimethylsulfoxide Dimeric Pd(II) and Pt(II) chloride organometallics with 2-phenylpyridine and their solvolysis in dimethylsulfoxide (en)
skos:prefLabel	Dimeric Pd(II) and Pt(II) chloride organometallics with 2-phenylpyridine and their solvolysis in dimethylsulfoxide Dimeric Pd(II) and Pt(II) chloride organometallics with 2-phenylpyridine and their solvolysis in dimethylsulfoxide (en)
skos:notation	RIV/00216224:14740/14:00073519!RIV15-GA0-14740___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(GAP206/12/0539)
http://linked.open...iv/cisloPeriodika	Juny
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Marek, Radek Vícha, Jan Pawlak, Tomasz
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	Masarykova univerzita / Středoevropský technologický institut
http://linked.open...dnocenehoVysledku	11594
http://linked.open...ai/riv/idVysledku	RIV/00216224:14740/14:00073519
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	palladium; platinum; solvolysis; low-temperature NMR spectroscopy; relativistic DFT calculations; cluster model (en)
http://linked.open.../riv/klicoveSlovo	cluster model low-temperature NMR spectroscopy relativistic DFT calculations solvolysis palladium platinum
http://linked.open...odStatuVydavatele	CH - Švýcarská konfederace
http://linked.open...ontrolniKodProRIV	[0F0AB67932E1]
http://linked.open...i/riv/nazevZdroje	Journal of Organometallic Chemistry
http://linked.open...in/vavai/riv/obor	CA
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Structure and dynamics of transition-metal complexes and their interaction with cavitands
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	759
http://linked.open...iv/tvurceVysledku	Marek, Radek Pawlak, Tomasz Pazderski, Leszek Vícha, Jan Niedzielska, Daria
http://linked.open...ain/vavai/riv/wos	000334291300009
issn	0022-328X
number of pages	9 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.jorganchem.2014.02.016
http://localhost/t...ganizacniJednotka	14740

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