Journal article
Nuclear spin circular dichroism in fullerenes: a computational study
In
Chemical Communications
—
2014, Volume 50, Issue 96, pp. 15228-15231
From
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.1
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.
| Language: | English |
|---|---|
| Publisher: | The Royal Society of Chemistry |
| Year: | 2014 |
| Pages: | 15228-15231 |
| ISSN: | 1364548x and 13597345 |
| Types: | Journal article |
| DOI: | 10.1039/c4cc07271e |
