Nuclear spin circular dichroism in fullerenes: a computational study

Michal Straka, Petr Stepanek, Sonia Coriani, Juha Vaara

Research output: Contribution to journalJournal articleCommunication

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.
Original languageEnglish
JournalChemical Communications
Volume50
Issue number96
Pages (from-to)15228-15231
Number of pages4
ISSN1359-7345
DOIs
Publication statusPublished - 2014
Externally publishedYes

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