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Nuclear spin circular dichroism in fullerenes: a computational study
Michal Straka,Petr Štěpánek,Sonia Coriani,Juha Vaara
Chemical Communications Pub Date : 10/17/2014 00:00:00 , DOI:10.1039/C4CC07271E
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.

Graphical abstract: Nuclear spin circular dichroism in fullerenes: a computational study
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