Synthesis, structural characterisation and bonding in an anionic hexavanadate bearing redox-active ferrocenyl groups at the periphery

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F10%3A00437165" target="_blank" >RIV/61388955:_____/10:00437165 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1039/c0nj00421a" target="_blank" >http://dx.doi.org/10.1039/c0nj00421a</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c0nj00421a" target="_blank" >10.1039/c0nj00421a</a>

Result language
angličtina
Original language name
Synthesis, structural characterisation and bonding in an anionic hexavanadate bearing redox-active ferrocenyl groups at the periphery
Original language 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 el
Czech name
—
Czech description
—

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
—

Project
<a href="/en/project/LC06070" target="_blank" >LC06070: The structure and synthetic applications of transition metal complexes</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2010
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Similar results(10)