Photophysics of Singlet and Triplet Intraligand Excited States in [ReCl(CO)(3)(1-(2-pyridyl)-imidazo[1,5-alpha]pyridine)] Complexes

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F14%3A00428322" target="_blank" >RIV/61388955:_____/14:00428322 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/ja413098m" target="_blank" >http://dx.doi.org/10.1021/ja413098m</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/ja413098m" target="_blank" >10.1021/ja413098m</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Photophysics of Singlet and Triplet Intraligand Excited States in [ReCl(CO)(3)(1-(2-pyridyl)-imidazo[1,5-alpha]pyridine)] Complexes

Popis výsledku v původním jazyce

Excited-state characters and dynamics of [ReCl(CO)(3)(3-R-1-(2-pyridyl)-imidazo[1,5-alpha]pyridine)] complexes (abbreviated ReGV-R, R = CH3, Ph, PhBut, PhCF3, PhNO2, PhNMe2) were investigated by pico- and nanosecond time-resolved infrared spectroscopy (TRIR) and excited-state DFT and TD-DFT calculations. Near UV excitation populates the lowest singlet state 5, that undergoes picosecond intersystem crossing (ISC) to the lowest triplet T-1. Both states are initially formed hot and relax with similar to 20ps lifetime. TRIR together with quantum chemical calculations reveal that S-1 is predominantly a pi pi* state localized at the 1-(2-pyridyl)-imidazo[1,5-alpha]pyridine (= impy) ligand core, with impy -> PhNO2 and PhNMe2 -> impy intraligand charge-transfer contributions in the case of ReGV-PhNO2 and ReGV-PhNMe2, respectively. T-1 is predominantly ire(impy) in all cases. It follows that excited singlet and corresponding triplet states have to some extent different characters and structure

Název v anglickém jazyce

Photophysics of Singlet and Triplet Intraligand Excited States in [ReCl(CO)(3)(1-(2-pyridyl)-imidazo[1,5-alpha]pyridine)] Complexes

Popis výsledku anglicky

Excited-state characters and dynamics of [ReCl(CO)(3)(3-R-1-(2-pyridyl)-imidazo[1,5-alpha]pyridine)] complexes (abbreviated ReGV-R, R = CH3, Ph, PhBut, PhCF3, PhNO2, PhNMe2) were investigated by pico- and nanosecond time-resolved infrared spectroscopy (TRIR) and excited-state DFT and TD-DFT calculations. Near UV excitation populates the lowest singlet state 5, that undergoes picosecond intersystem crossing (ISC) to the lowest triplet T-1. Both states are initially formed hot and relax with similar to 20ps lifetime. TRIR together with quantum chemical calculations reveal that S-1 is predominantly a pi pi* state localized at the 1-(2-pyridyl)-imidazo[1,5-alpha]pyridine (= impy) ligand core, with impy -> PhNO2 and PhNMe2 -> impy intraligand charge-transfer contributions in the case of ReGV-PhNO2 and ReGV-PhNMe2, respectively. T-1 is predominantly ire(impy) in all cases. It follows that excited singlet and corresponding triplet states have to some extent different characters and structure

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

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

Journal of the American Chemical Society

ISSN

0002-7863

e-ISSN

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Svazek periodika

136

Číslo periodika v rámci svazku

16

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

5963-5973

Kód UT WoS článku

000335086100032

EID výsledku v databázi Scopus

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