Excited state potential energy surfaces and their interactions in FeIV[double bond, length as m-dash]O active sites

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F14%3A00434847" target="_blank" >RIV/61388955:_____/14:00434847 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1039/C4DT01366B" target="_blank" >http://dx.doi.org/10.1039/C4DT01366B</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/C4DT01366B" target="_blank" >10.1039/C4DT01366B</a>

Result language

angličtina

Original language name

Excited state potential energy surfaces and their interactions in FeIV[double bond, length as m-dash]O active sites

Original language description

The non-heme ferryl active sites are of significant interest for their application in biomedical and green catalysis. These sites have been shown to have an S = 1 or S = 2 ground spin state; the latter is functional in biology. Low-temperature magnetic circular dichroism (LT MCD) spectroscopy probes the nature of the excited states in these species including ligand-field (LF) states that are otherwise difficult to study by other spectroscopies. In particular, the temperature dependences of MCD featuresenable their unambiguous assignment and thus determination of the low-lying excited states in two prototypical S = 1 and S = 2 NHFeIV[double bond, length as m-dash]O complexes. Furthermore, some MCD bands exhibit vibronic structures that allow mapping ofexcited-state interactions and their effects on the potential energy surfaces (PESs). For the S = 2 species, there is also an unusual spectral feature in both near-infrared absorption and MCD spectra ? Fano antiresonance (dip in Abs) and

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2014

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Dalton Transactions

ISSN

1477-9226

e-ISSN

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Volume of the periodical

43

Issue of the periodical within the volume

47

Country of publishing house

GB - UNITED KINGDOM

Number of pages

11

Pages from-to

17567-17577

UT code for WoS article

000345065600002

EID of the result in the Scopus database

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