About: Reduced and Excited States of (bpym)[PtCl2]n, (bpym=2,2''-Bipyrimidine, n = 1, 2.): Experiments and DFT Calculations.

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About: Reduced and Excited States of (bpym)[PtCl2]n, (bpym=2,2''-Bipyrimidine, n = 1, 2.): Experiments and DFT Calculations. Goto Sponge NotDistinct Permalink

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Description	The complexes (bpym)PtCl2 (1) and the new (mu-bpym)[PtCl2](2) (2), bpym = 2,2''-bipyrimidine, were synthesized and, in the case of 1, crystallized in solvent-free form for X-ray diffraction. The molecules 1 exhibit two different kinds of stacking motifs in the crystal with an interstack CH--N interaction. Complexes 1 and 2 were found to be sufficiently soluble for cyclic voltammetry, spectroscopy (absorption and emission), and spectroelectrochemical studies (UV-vis, EPR). As a result of single or double coordination of the strongly sigma-accepting [PtCl2] fragment to bpym, the paramagnetic anions 1(.)- and 2(.)- and the dianions 1(2)- and 2(2)- could be reversibly generated, despite the presence of metal-halide bonds. DFT calculations of A(Pt-195) and g tensor components confirm that the singly occupied MOs of the monoanionic species have mainly pi(bpym) character with nonnegligible platinum d orbital participation. The assignments of the electronic absorption and emission. The complexes (bpym)PtCl2 (1) and the new (mu-bpym)[PtCl2](2) (2), bpym = 2,2''-bipyrimidine, were synthesized and, in the case of 1, crystallized in solvent-free form for X-ray diffraction. The molecules 1 exhibit two different kinds of stacking motifs in the crystal with an interstack CH--N interaction. Complexes 1 and 2 were found to be sufficiently soluble for cyclic voltammetry, spectroscopy (absorption and emission), and spectroelectrochemical studies (UV-vis, EPR). As a result of single or double coordination of the strongly sigma-accepting [PtCl2] fragment to bpym, the paramagnetic anions 1(.)- and 2(.)- and the dianions 1(2)- and 2(2)- could be reversibly generated, despite the presence of metal-halide bonds. DFT calculations of A(Pt-195) and g tensor components confirm that the singly occupied MOs of the monoanionic species have mainly pi(bpym) character with nonnegligible platinum d orbital participation. The assignments of the electronic absorption and emission. (en)
Title	Reduced and Excited States of (bpym)[PtCl2]n, (bpym=2,2''-Bipyrimidine, n = 1, 2.): Experiments and DFT Calculations. Reduced and Excited States of (bpym)[PtCl2]n, (bpym=2,2''-Bipyrimidine, n = 1, 2.): Experiments and DFT Calculations. (en)
skos:prefLabel	Reduced and Excited States of (bpym)[PtCl2]n, (bpym=2,2''-Bipyrimidine, n = 1, 2.): Experiments and DFT Calculations. Reduced and Excited States of (bpym)[PtCl2]n, (bpym=2,2''-Bipyrimidine, n = 1, 2.): Experiments and DFT Calculations. (en)
skos:notation	RIV/61388955:_____/02:54020116!RIV/2003/AV0/A54003/N
http://linked.open.../vavai/riv/strany	4139;4148
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(ME 439), P(OC D15.10), Z(AV0Z4040901)
http://linked.open...iv/cisloPeriodika	41
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Fiedler, Jan Záliš, Stanislav
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 fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	661753
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/02:54020116
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	order regular approximation; - platinum (II) diimine; - spectroelectrochemistry (en)
http://linked.open.../riv/klicoveSlovo	order regular approximation - spectroelectrochemistry - platinum (II) diimine
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[3DF08FFA7FCF]
http://linked.open...i/riv/nazevZdroje	Inorganic Chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	11 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20D15.10 http://linked.opendata.cz/resource/domain/vavai/projekt/ME%20439
http://linked.open...UplatneniVysledku	2002
http://linked.open...v/svazekPeriodika	16
http://linked.open...iv/tvurceVysledku	Fiedler, Jan Kaim, W. Záliš, Stanislav Klein, A. Schleid, T. Stufkens, D. J. McInnes, E. J. L. Snoeck, T. L. Wanner, M. Dogan, A. Tiritiris, I.
http://linked.open...n/vavai/riv/zamer	Objasňování zákonitostí vztahů struktury a vlastností - zejména dynamiky a chemické reaktivity - látek a molekulárních systémů
issn	0020-1669
number of pages	10 (xsd:int)

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