Electronic states and infrared spectroscopy of Ni- and Co-phthalocyanines: neutral and oxidized forms.

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F02%3A55033132" target="_blank" >RIV/61389013:_____/02:55033132 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Electronic states and infrared spectroscopy of Ni- and Co-phthalocyanines: neutral and oxidized forms.
Original language description
Quantum chemical calculations reproduced the experimental infrared spectra ofNiPc, NiPc(AsF6)(0.5), CoPc, and CoPc(AsF6)(0.5). The agreement in the changes of line intensities supports the ligand-centered oxidation in both NiPc(AsF6)(0.5) and CoPc(AsF6)(0.5) Whereas, electron configurations of NiPc and NiPc+ as well as CoPc represent standard cases, i.e., they can be taken as a closed-shell and open-shell system, respectively, the electron configurattion of CoPc+ must be taken as an open-shell system toget an agreement of theoretical and experimental infrared spectra..
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
CD - Macromolecular chemistry
OECD FORD branch
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Project
<a href="/en/project/KSK4050111" target="_blank" >KSK4050111: Goal-oriented preparation of chemical compounds with well-defined properties</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2002
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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