Tuning the Spectroscopic Properties of Aryl Carotenoids by Slight Changes in Structure

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12310%2F15%3A43888684" target="_blank" >RIV/60076658:12310/15:43888684 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/jp512354r" target="_blank" >http://dx.doi.org/10.1021/jp512354r</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/jp512354r" target="_blank" >10.1021/jp512354r</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Tuning the Spectroscopic Properties of Aryl Carotenoids by Slight Changes in Structure

Popis výsledku v původním jazyce

Two carotenoids with aryl rings were studied by femtosecond transient absorption spectroscopy and theoretical computational methods, and the results were compared with those obtained from their nonaryl counterpart, beta-carotene. Although isorenieratenehas more conjugated C-C bonds than beta-carotene, its effective conjugation length, Neff, is shorter than of b-carotene. This is evidenced by a longer S-1 lifetime and higher S-1 energy of isorenieratene compared to the values for beta-carotene. On the other hand, although isorenieratene and renierapurpurin have the same pi-electron conjugated chain structure, Neff is different for these two carotenoids. The S-1 lifetime of renierapurpurin is shorter than that of isorenieratene, indicating a longer Nefffor renierapurpurin. This conclusion is also consistent with a lower S-1 energy of renierapurpurin compared to those of the other carotenoids. Density functional theory (DFT) was used to calculate equilibrium geometries of ground and exc

Název v anglickém jazyce

Tuning the Spectroscopic Properties of Aryl Carotenoids by Slight Changes in Structure

Popis výsledku anglicky

Two carotenoids with aryl rings were studied by femtosecond transient absorption spectroscopy and theoretical computational methods, and the results were compared with those obtained from their nonaryl counterpart, beta-carotene. Although isorenieratenehas more conjugated C-C bonds than beta-carotene, its effective conjugation length, Neff, is shorter than of b-carotene. This is evidenced by a longer S-1 lifetime and higher S-1 energy of isorenieratene compared to the values for beta-carotene. On the other hand, although isorenieratene and renierapurpurin have the same pi-electron conjugated chain structure, Neff is different for these two carotenoids. The S-1 lifetime of renierapurpurin is shorter than that of isorenieratene, indicating a longer Nefffor renierapurpurin. This conclusion is also consistent with a lower S-1 energy of renierapurpurin compared to those of the other carotenoids. Density functional theory (DFT) was used to calculate equilibrium geometries of ground and exc

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

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2015

Kód důvěrnosti údajů

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

Název periodika

Journal of Physical Chemistry B

ISSN

1520-6106

e-ISSN

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Svazek periodika

119

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

1457-1467

Kód UT WoS článku

000348753600022

EID výsledku v databázi Scopus

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