Variable electronic structure and spin distribution in bis(2,2′-bipyridine)-metal complexes (M = Ru or Os) of 4,5-dioxido- And 4,5-diimido-pyrene
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F21%3A00541660" target="_blank" >RIV/61388955:_____/21:00541660 - isvavai.cz</a>
Result on the web
<a href="http://hdl.handle.net/11104/0319192" target="_blank" >http://hdl.handle.net/11104/0319192</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/d1dt00282a" target="_blank" >10.1039/d1dt00282a</a>
Alternative languages
Result language
angličtina
Original language name
Variable electronic structure and spin distribution in bis(2,2′-bipyridine)-metal complexes (M = Ru or Os) of 4,5-dioxido- And 4,5-diimido-pyrene
Original language description
he odd-electron compounds [M(bpy)2(L1)](ClO4) M = Ru ([1](ClO4)) or Os ([2](ClO4)), and the even-electron species [M(bpy)2(H2L2)](ClO4)2, M = Ru ([3](ClO4)2) or Os ([4](ClO4)2) were obtained from pyrene-4,5-dione, L1, or 4,5-diaminopyrene, H4L2, and were characterised structurally, electrochemically and spectroscopically. Experimental and computational analysis (TD-DFT) revealed rather different electronic structures and spin distributions of the paramagnetic monocations1+-4+. EPR investigations and electronic absorption studies exhibit increasing metal contributions to the singly occupied MO along the series1+<3+<4+<2+, illustrated bygvalue and long-wavelength absorbance. In addition to variations of the metal (Ru,Os) and the donor atoms (O,NH) the extension of the π system of the semiquinone-type ligand has a large effect on the electronic structure of the paramagnetic cations.
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
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Dalton Transactions
ISSN
1477-9226
e-ISSN
1477-9234
Volume of the periodical
50
Issue of the periodical within the volume
12
Country of publishing house
GB - UNITED KINGDOM
Number of pages
11
Pages from-to
4191-4201
UT code for WoS article
000634921100013
EID of the result in the Scopus database
2-s2.0-85103471450