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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F14%3A00435561%21RIV15-GA0-61388963
rdf:type
n14:Vysledek skos:Concept
dcterms:description
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. 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.
dcterms:title
Nuclear spin circular dichroism in fullerenes: a computational study Nuclear spin circular dichroism in fullerenes: a computational study
skos:prefLabel
Nuclear spin circular dichroism in fullerenes: a computational study Nuclear spin circular dichroism in fullerenes: a computational study
skos:notation
RIV/61388963:_____/14:00435561!RIV15-GA0-61388963
n3:aktivita
n9:P n9:I
n3:aktivity
I, P(GA14-03564S)
n3:cisloPeriodika
96
n3:dodaniDat
n18:2015
n3:domaciTvurceVysledku
n11:9972218 n11:7215215
n3:druhVysledku
n10:J
n3:duvernostUdaju
n6:S
n3:entitaPredkladatele
n12:predkladatel
n3:idSjednocenehoVysledku
33231
n3:idVysledku
RIV/61388963:_____/14:00435561
n3:jazykVysledku
n15:eng
n3:klicovaSlova
nuclear spin circular dichroism; fullerenes; C60; C70; density functional calculations; magnetic circular dichroism
n3:klicoveSlovo
n4:C60 n4:nuclear%20spin%20circular%20dichroism n4:density%20functional%20calculations n4:fullerenes n4:magnetic%20circular%20dichroism n4:C70
n3:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n3:kontrolniKodProRIV
[7AB79FC77188]
n3:nazevZdroje
Chemical Communications
n3:obor
n5:CF
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
4
n3:projekt
n13:GA14-03564S
n3:rokUplatneniVysledku
n18:2014
n3:svazekPeriodika
50
n3:tvurceVysledku
Štěpánek, Petr Straka, Michal Coriani, S. Vaara, J.
n3:wos
000344997100026
s:issn
1359-7345
s:numberOfPages
4
n17:doi
10.1039/c4cc07271e