The intricate paramagnetic state of [Os(Q)(2)(bpy)](+), Q=4,6-di-tert-butyl-o-iminobenzoquinone

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F12%3A00385245" target="_blank" >RIV/61388955:_____/12:00385245 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1039/c2dt30903c" target="_blank" >http://dx.doi.org/10.1039/c2dt30903c</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c2dt30903c" target="_blank" >10.1039/c2dt30903c</a>

Result language
angličtina
Original language name
The intricate paramagnetic state of [Os(Q)(2)(bpy)](+), Q=4,6-di-tert-butyl-o-iminobenzoquinone
Original language description
The combination of two highly non-innocent ligands with a third-row transition metal produces the title complex ion which was crystallised as [Os(Q)(2)(bpy)](ClO4)center dot C6H6 (Q = 4,6-di-tert-butyl-o-iminobenzoquinones, bpy = 2,2'-bipyridine) and could be structurally characterised to exhibit a trischelate situation at the metal with trans-positioned N and cis-positioned O donor atoms. The metrical ligand parameters are in agreement with two partially reduced ligands. A 3-spin interaction (Q(centerdot-)) Os-III(Q(center dot-)) can rationalise the observed S = 1/2 situation with ligand-centred resulting spin. Ligand-based spin is confirmed by DFT (calculated spin populations Q: 1.113; Os: -0.113; bpy: 0.001) and is also apparent from the EPR signal(g(1) 1.981, g(2) 1.955, g(3) 1.803, Delta g 0.178, < g > 1.915) which is influenced by the high spin-orbit coupling constant of the osmium centre. The susceptibility measurements reveal antiferromagnetic behaviour. A one-electron oxidat
Czech name
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Czech description
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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
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Project
<a href="/en/project/LD11086" target="_blank" >LD11086: Quantum chemical interpretation and prediction of spectral characteristics of heavy transition metal complexes</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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