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Statements

Subject Item
n2:RIV%2F61388955%3A_____%2F10%3A00437165%21RIV15-AV0-61388955
rdf:type
n17:Vysledek skos:Concept
dcterms:description
Amide FcCONHC(CH2OH)(3) (1; Fc = ferrocenyl), prepared from fluorocarbonylferrocene and tris(hydroxymethyl)methylamine, reacts with (Bu4N)(3)[H3V10O28] in N, N-dimethylacetamide to afford a salt containing a bis(triolato) capped hexavanadate anion bearing two ferrocenyl groups at its periphery, (Bu4N)(2)[{FcC(O)NHC(CH2O)(3)}(2)V6O13] (2). Compounds 1 and 2 were characterised by elemental analysis, spectroscopic methods (IR, NMR, and MS) and by cyclic voltammetry; the crystal structures of 1.1/2CH(3)CO(2)Et and (Bu4N)(2)[{FcC(O)NHC(CH2O)(3)}(2)V6O13]center dot 2Me(2)NCHO were determined by X-ray diffraction analysis. Single-point DFT calculations performed for the isolated hexavanadate anion revealed the presence of 3-centre 4-electron (3c4e) O-V-O bonds on the hexavanadate cage, which are responsible for the high energy of the occupied frontier orbitals. The upper eleven occupied molecular orbitals including the HOMO are all delocalized over the hexavanadate cage and, therefore, any electrochemical oxidation can be expected to occur preferentially at the hexavanadate anion without affecting the pendant ferrocene moieties. Amide FcCONHC(CH2OH)(3) (1; Fc = ferrocenyl), prepared from fluorocarbonylferrocene and tris(hydroxymethyl)methylamine, reacts with (Bu4N)(3)[H3V10O28] in N, N-dimethylacetamide to afford a salt containing a bis(triolato) capped hexavanadate anion bearing two ferrocenyl groups at its periphery, (Bu4N)(2)[{FcC(O)NHC(CH2O)(3)}(2)V6O13] (2). Compounds 1 and 2 were characterised by elemental analysis, spectroscopic methods (IR, NMR, and MS) and by cyclic voltammetry; the crystal structures of 1.1/2CH(3)CO(2)Et and (Bu4N)(2)[{FcC(O)NHC(CH2O)(3)}(2)V6O13]center dot 2Me(2)NCHO were determined by X-ray diffraction analysis. Single-point DFT calculations performed for the isolated hexavanadate anion revealed the presence of 3-centre 4-electron (3c4e) O-V-O bonds on the hexavanadate cage, which are responsible for the high energy of the occupied frontier orbitals. The upper eleven occupied molecular orbitals including the HOMO are all delocalized over the hexavanadate cage and, therefore, any electrochemical oxidation can be expected to occur preferentially at the hexavanadate anion without affecting the pendant ferrocene moieties.
dcterms:title
Synthesis, structural characterisation and bonding in an anionic hexavanadate bearing redox-active ferrocenyl groups at the periphery Synthesis, structural characterisation and bonding in an anionic hexavanadate bearing redox-active ferrocenyl groups at the periphery
skos:prefLabel
Synthesis, structural characterisation and bonding in an anionic hexavanadate bearing redox-active ferrocenyl groups at the periphery Synthesis, structural characterisation and bonding in an anionic hexavanadate bearing redox-active ferrocenyl groups at the periphery
skos:notation
RIV/61388955:_____/10:00437165!RIV15-AV0-61388955
n3:aktivita
n11:P n11:Z
n3:aktivity
P(LC06070), Z(AV0Z40400503)
n3:cisloPeriodika
12
n3:dodaniDat
n9:2015
n3:domaciTvurceVysledku
n13:5347440
n3:druhVysledku
n5:J
n3:duvernostUdaju
n14:S
n3:entitaPredkladatele
n4:predkladatel
n3:idSjednocenehoVysledku
291564
n3:idVysledku
RIV/61388955:_____/10:00437165
n3:jazykVysledku
n18:eng
n3:klicovaSlova
synthesis; redox-active ferrocenyl groups; ferrocene
n3:klicoveSlovo
n6:synthesis n6:ferrocene n6:redox-active%20ferrocenyl%20groups
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[6F4F5041772E]
n3:nazevZdroje
New Journal of Chemistry
n3:obor
n19:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
4
n3:projekt
n7:LC06070
n3:rokUplatneniVysledku
n9:2010
n3:svazekPeriodika
34
n3:tvurceVysledku
Gyepes, Robert Císařová, I. Štěpnička, P. Schulz, J.
n3:wos
000284544800008
n3:zamer
n16:AV0Z40400503
s:issn
1144-0546
s:numberOfPages
8
n15:doi
10.1039/c0nj00421a