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Communication: Fullerene resolution by the magnetic circular dichroism
- 1.0393970 - ÚOCHB 2014 RIV US eng J - Journal Article
Štěpánek, Petr - Straka, Michal - Andrushchenko, Valery - Bouř, Petr
Communication: Fullerene resolution by the magnetic circular dichroism.
Journal of Chemical Physics. Roč. 138, č. 15 (2013), 151103/1-151103/4. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GAP208/11/0105; GA MŠMT(CZ) LH11033; GA ČR GA13-03978S
Grant - others:AV ČR(CZ) M200551205
Institutional support: RVO:61388963
Keywords : density-functional theory * minor isomers * B-term * C-60 * spectra
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.122, year: 2013
The similarity in shape makes separation and identification of fullerenes difficult. In this work, the magnetic circular dichroism (MCD) spectroscopy is presented as a useful tool for this purpose. Experimental C-60 and C-70 spectra were obtained and reproduced with the aid of density functional computations and the complex polarization propagator method. Theoretical spectra of other fullerenes revealed distinctive patterns extremely sensitive to molecular structure as well. Requiring tiny amounts of the sample, the MCD technique thus appears as a useful for detailed fullerene studies.
Permanent Link: http://hdl.handle.net/11104/0222329
Number of the records: 1