About: Spectroelectrochemistry and DFT Analysis of a New {RuNO}n Redox System with Multifrequency EPR Suggesting Conformational Isomerism in the {RuNO}7 State     Goto   Sponge   NotDistinct   Permalink

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  • The compound [Ru(NO)(bpym)(terpy)](PF6)3, bpym = 2,2´-bipyrimidine and terpy = 2,2´:6´,2´ ´-terpyridine, with a {RuNO}6 configuration (angle Ru-N-O 175.2(4)) was obtained from the structurally characterized precursor [Ru(NO2)(bpym)(terpy)](PF6), which shows bpym-centered reduction and metal-centered oxidation, as evident from EPR spectroscopy. The relatively labile [Ru(NO)(bpym)(terpy)]3+, which forms a structurally characterized acetonitrile substitution product [Ru(CH3CN)(bpym)(terpy)](PF6)2 upon treatment with CH3OH/CH3CN, is electrochemically reduced in three one-electron steps of which the third, leading to neutral [Ru(NO)(bpym)(terpy)], involves electrode adsorption. The first-two reduction processes cause shifts of (NO) from 1957 via 1665 to 1388 cm-1, implying a predominantly NO-centered electron addition.
  • The compound [Ru(NO)(bpym)(terpy)](PF6)3, bpym = 2,2´-bipyrimidine and terpy = 2,2´:6´,2´ ´-terpyridine, with a {RuNO}6 configuration (angle Ru-N-O 175.2(4)) was obtained from the structurally characterized precursor [Ru(NO2)(bpym)(terpy)](PF6), which shows bpym-centered reduction and metal-centered oxidation, as evident from EPR spectroscopy. The relatively labile [Ru(NO)(bpym)(terpy)]3+, which forms a structurally characterized acetonitrile substitution product [Ru(CH3CN)(bpym)(terpy)](PF6)2 upon treatment with CH3OH/CH3CN, is electrochemically reduced in three one-electron steps of which the third, leading to neutral [Ru(NO)(bpym)(terpy)], involves electrode adsorption. The first-two reduction processes cause shifts of (NO) from 1957 via 1665 to 1388 cm-1, implying a predominantly NO-centered electron addition. (en)
  • Sloučeniny Ru(NO)(BPYm)(terpy)(PF6)3, (bpym = 2,2´-bipyrimidin a terpy = 1,2´:6´12´´-terpyridin) v (RuNO)6 konfiguraci (úhel Ru-N-O 175.2(4)0) byly získány ze strukturně charakterizovaného prekursoru [Ru(NO2)(bpym)(terpy)](PF6). Výsledky EPR spektroskopie indikují bpym lokalizovanou redukci a oxidaci lokalizovanou na centrálním kovu. Dva první redukční procesy způsobují posun .nu.(NO) frekvencí z 1957 na 1388 cm-1, tento fakt ukazuje na převážně NO lokalizovaný příjem elektronu. DFT výpočty podporují přiřazení oxidačních stavů a interpretaci elektronové struktury. (cs)
Title
  • Spectroelectrochemistry and DFT Analysis of a New {RuNO}n Redox System with Multifrequency EPR Suggesting Conformational Isomerism in the {RuNO}7 State
  • Spektroelektrochemie a DFT analýza nového (RuNO)n systému společně s multifrekvenční EPR navrhují konformační isomerismus v (RuNO)7 stavu (cs)
  • Spectroelectrochemistry and DFT Analysis of a New {RuNO}n Redox System with Multifrequency EPR Suggesting Conformational Isomerism in the {RuNO}7 State (en)
skos:prefLabel
  • Spectroelectrochemistry and DFT Analysis of a New {RuNO}n Redox System with Multifrequency EPR Suggesting Conformational Isomerism in the {RuNO}7 State
  • Spektroelektrochemie a DFT analýza nového (RuNO)n systému společně s multifrekvenční EPR navrhují konformační isomerismus v (RuNO)7 stavu (cs)
  • Spectroelectrochemistry and DFT Analysis of a New {RuNO}n Redox System with Multifrequency EPR Suggesting Conformational Isomerism in the {RuNO}7 State (en)
skos:notation
  • RIV/61388955:_____/07:00093660!RIV08-MSM-61388955
http://linked.open.../vavai/riv/strany
  • 9254;9261
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(KAN100400702), P(OC 139), Z(AV0Z40400503)
http://linked.open...iv/cisloPeriodika
  • 22
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
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http://linked.open...dnocenehoVysledku
  • 451557
http://linked.open...ai/riv/idVysledku
  • RIV/61388955:_____/07:00093660
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  • spectroelectrochemistry; DFT technique; EPR (en)
http://linked.open.../riv/klicoveSlovo
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  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [741F20498F30]
http://linked.open...i/riv/nazevZdroje
  • Inorganic Chemistry
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
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http://linked.open...v/svazekPeriodika
  • 46
http://linked.open...iv/tvurceVysledku
  • Fiedler, Jan
  • Kaim, W.
  • Záliš, Stanislav
  • Lissner, F.
  • Singh, P.
  • Duboc, C.
  • Niemeyer, M.
  • Schleid, T.
http://linked.open...n/vavai/riv/zamer
issn
  • 0020-1669
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