Magnetic circular dichroism of chlorofullerenes: Experimental and computational study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F16%3A00459012" target="_blank" >RIV/61388963:_____/16:00459012 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.cplett.2016.01.047" target="_blank" >http://dx.doi.org/10.1016/j.cplett.2016.01.047</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.cplett.2016.01.047" target="_blank" >10.1016/j.cplett.2016.01.047</a>

Result language
angličtina
Original language name
Magnetic circular dichroism of chlorofullerenes: Experimental and computational study
Original language description
Magnetic circular dichroism (MCD) spectra of C-60 Cl-6, C70Cl10 and C60Cl24 were measured and interpreted using a sum-over-state (SOS) protocol exploiting time dependent density functional theory (TDDFT). Unlike for plain absorption, the MCD spectra exhibited easily recognizable features specific for each chlorinated molecule and appear as a useful tool for chlorofullerene identification. MCD spectrum of C60Cl24 was below 400nm partially obscured due to scattering and low solubility. In all cases a finer vibrational structure of the electronic bands was observed at longer wavelengths. The TDDFT simulations provided a reasonable basis for interpretation of the most prominent spectral features.
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
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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