Nuclear spin circular dichroism in fullerenes:  a computational study

Michal Straka; Petr Stepanek; Sonia Coriani; Juha Vaara

doi:10.1039/c4cc07271e

Nuclear spin circular dichroism in fullerenes: a computational study

Michal Straka, Petr Stepanek, Sonia Coriani, Juha Vaara

Research output: Contribution to journal › Journal article › Communication

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 language	English
Journal	Chemical Communications
Volume	50
Issue number	96
Pages (from-to)	15228-15231
Number of pages	4
ISSN	1359-7345
DOIs	https://doi.org/10.1039/c4cc07271e
Publication status	Published - 2014
Externally published	Yes

Access to Document

10.1039/c4cc07271e

Fingerprint Dive into the research topics of 'Nuclear spin circular dichroism in fullerenes: a computational study'. Together they form a unique fingerprint.

Cite this

@article{6a56162bdbcc4c9fbdea6a0f132bc99c,

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.",

author = "Michal Straka and Petr Stepanek and Sonia Coriani and Juha Vaara",

year = "2014",

doi = "10.1039/c4cc07271e",

language = "English",

volume = "50",

pages = "15228--15231",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "96",

}

TY - JOUR

T1 - Nuclear spin circular dichroism in fullerenes

T2 - a computational study

AU - Straka, Michal

AU - Stepanek, Petr

AU - Coriani, Sonia

AU - Vaara, Juha

PY - 2014

Y1 - 2014

N2 - 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.

AB - 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.

U2 - 10.1039/c4cc07271e

DO - 10.1039/c4cc07271e

M3 - Journal article

VL - 50

SP - 15228

EP - 15231

JO - Chemical Communications

JF - Chemical Communications

SN - 1359-7345

IS - 96

ER -