Počet záznamů: 1
Nuclear spin circular dichroism in fullerenes: a computational study
- 1.0435561 - ÚOCHB 2015 RIV GB eng J - Článek v odborném periodiku
Straka, Michal - Štěpánek, Petr - Coriani, S. - Vaara, J.
Nuclear spin circular dichroism in fullerenes: a computational study.
Chemical Communications. Roč. 50, č. 96 (2014), s. 15228-15231. ISSN 1359-7345. E-ISSN 1364-548X
Grant CEP: GA ČR(CZ) GA14-03564S
Grant ostatní: GA MŠk(CZ) ED3.2.00/08.0144
Institucionální podpora: RVO:61388963
Klíčová slova: nuclear spin circular dichroism * fullerenes * C60 * C70 * density functional calculations * magnetic circular dichroism
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 6.834, rok: 2014
In the recently proposed phenomenon, nuclear spin-induced circular dichroism (NSCD), collective magnetisation of nuclei induces circular dichroism in a light beam passing through a molecular sample. Here we present the first computational predictions of NSCD for fullerenes C60 and C70. We show that the NSCD signal is nucleus-specific, like in NMR spectroscopy. Thus, NSCD may provide a new and promising, high-resolution observable for experimental identification of chemical compounds.
Trvalý link: http://hdl.handle.net/11104/0239677
Počet záznamů: 1