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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

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

Popis výsledku anglicky

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

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

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

Název periodika

Dalton Transactions

ISSN

1477-9226

e-ISSN

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Svazek periodika

43

Číslo periodika v rámci svazku

47

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

11

Strana od-do

17567-17577

Kód UT WoS článku

000345065600002

EID výsledku v databázi Scopus

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