title: Nuclear spin circular dichroism in fullerenes: a computational study.
abstract: 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.
authors.affiliation: Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2., CZ-16610, Praha 6, Czech Republic. straka@uochb.cas.cz.
authors.forename: Michal
authors.initials: M
authors.lastname: Straka
authors.forename: Petr
authors.initials: P
authors.lastname: Štěpánek
authors.forename: Sonia
authors.initials: S
authors.lastname: Coriani
authors.forename: Juha
authors.initials: J
authors.lastname: Vaara