Probing the Intramolecular Metal-Selenoether Interaction in a Bis(iminosemiquinone) copper(II) Compound
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F17%3A00483654" target="_blank" >RIV/61388955:_____/17:00483654 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1002/zaac.201700282" target="_blank" >http://dx.doi.org/10.1002/zaac.201700282</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/zaac.201700282" target="_blank" >10.1002/zaac.201700282</a>
Alternative languages
Result language
angličtina
Original language name
Probing the Intramolecular Metal-Selenoether Interaction in a Bis(iminosemiquinone) copper(II) Compound
Original language description
The selenoether compound [Cu(Q(SeMe))(2)] [H(2)Q(SeMe) = 4,6-di- tert-butyl-2-(2-methylselenophenyl) aminophenol] exhibits solvate-dependent NCuO/OCuN twisting (24 degrees and 33 degrees) and very weak copper-chalcogen interactions (3.30-3.55 angstrom) in the crystal. Structural studies as well as EPR and magnetic measurements confirm a bis(iminosemiquinone) copper(II) configuration with one ligand-based spin in the S = 1/2 ground state. A spin up-down-up sequence is thus inferred for the (Q(center dot-))-Cu-II-(Q(center dot-)) three-spin system. UV/Vis/NIR spectroelectrochemistry in CH2Cl2/0.1 M Bu4NPF6 reveals a broad ligand-to-ligand intervalence charge transfer (Q(2-)> Q(center dot-)) band at 1910 nm for the monoanion whereas the stepwise two-electron oxidation leads to loss of intensity in the near infrared region. DFT calculations of structure, spin density, and electronic transitions were performed to confirm the assignments of oxidation states and absorption features.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/LTC17052" target="_blank" >LTC17052: Electron-transfer dynamics in complex molecular systems</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Zeitschrift für anorganische und allgemeine Chemie
ISSN
0044-2313
e-ISSN
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Volume of the periodical
643
Issue of the periodical within the volume
21
Country of publishing house
DE - GERMANY
Number of pages
7
Pages from-to
1621-1627
UT code for WoS article
000414697700048
EID of the result in the Scopus database
2-s2.0-85034998225