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.

Institute of Organic Chemistry and Biochemistry Academy of Sciences of the Czech Republic Flemingovo nám 2 CZ 16610 Praha 6 Czech Republic

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Relation between molecular electronic structure and nuclear spin-induced circular dichroism