Bambusuril as a One-Electron Donor for Photoinduced Electron
Transfer to Methyl Viologen in Mixed Crystals

J 2017

Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals

FIALA, Tomáš; Lucie LUDVÍKOVÁ; Dominik HEGER; Jan ŠVEC; Tomáš SLANINA et. al.

Základní údaje

Originální název

Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals

Autoři

FIALA, Tomáš ; Lucie LUDVÍKOVÁ; Dominik HEGER; Jan ŠVEC; Tomáš SLANINA; Ľubica VETRÁKOVÁ; Michal BABIAK; Marek NEČAS; Petr KULHÁNEK; Petr KLÁN a Vladimír ŠINDELÁŘ

Vydání

Journal of the American Chemical Society, WASHINGTON, American Chemical Society, 2017, 0002-7863

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10401 Organic chemistry

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 14.357

Kód RIV

RIV/00216224:14310/17:00095285

Organizační jednotka

Přírodovědecká fakulta

DOI

https://doi.org/10.1021/jacs.6b08589

UT WoS

000394829200016

EID Scopus

2-s2.0-85013379931

Klíčová slova anglicky

DENSITY-FUNCTIONAL CALCULATIONS; ORDER REGULAR APPROXIMATION; CHARGE-TRANSFER SALTS; MOLECULAR-DYNAMICS; CATION RADICALS; METHYLVIOLOGEN; REDUCTION; PHOTOCHEMISTRY; ORGANOSILICA; ACETONITRILE

Štítky

CF SAXS, H19, NZ, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 29. 3. 2018 10:04, Ing. Nicole Zrilić

Anotace

V originále

Methyl viologen hexafluorophosphate (MV2+center dot 2PF(6)(-)) and dodecamethylbambus[6]uril (BU6) form crystals in which the layers of viologen dications alternate with those of a 1:2 supramolecular complex of BU6 and PF6-. This arrangement allows for a one-electron reduction of MV2+ ions upon UV irradiation to form MV+center dot radical cations within the crystal structure with half-lives of several hours in air. The mechanism of this photoinduced electron transfer in the solid state and the origin of the long-lived charge-separated state were studied by steady-state and transient spectroscopies, cyclic voltammetry, and electron paramagnetic resonance spectroscopy. Our experiments are supported by quantum-chemical calculations showing that BU6 acts as a reductant. In addition, analogous photochemical behavior is also demonstrated on other MV2+/BU6 crystals containing either BF4- or Br- counterions.

Návaznosti

GA13-15576S, projekt VaV

Název: Syntéza a supramolekulární vlastnosti bambusurilů

Investor: Grantová agentura ČR, Syntéza a supramolekulární vlastnosti bambusurilů

LM2015043, projekt VaV

Název: Česká infrastruktura pro integrativní strukturní biologii (Akronym: CIISB)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, Czech Infrastructure for Integrative Structural Biology

LM2015051, projekt VaV

Název: Centrum pro výzkum toxických látek v prostředí (Akronym: RECETOX RI)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, Výzkumná infrastruktura RECETOX

LM2015085, projekt VaV

Název: CERIT Scientific Cloud (Akronym: CERIT-SC)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CERIT Scientific Cloud

LO1214, projekt VaV

Název: Centrum pro výzkum toxických látek v prostředí (Akronym: RECETOX)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, Centrum pro výzkum toxických látek v prostředí

LQ1601, projekt VaV

Název: CEITEC 2020 (Akronym: CEITEC2020)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CEITEC 2020

Citovat

FIALA, Tomáš; Lucie LUDVÍKOVÁ; Dominik HEGER; Jan ŠVEC; Tomáš SLANINA; Ľubica VETRÁKOVÁ; Michal BABIAK; Marek NEČAS; Petr KULHÁNEK; Petr KLÁN a Vladimír ŠINDELÁŘ. Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals. Journal of the American Chemical Society. WASHINGTON: American Chemical Society, 2017, roč. 139, č. 7, s. 2597-2603. ISSN 0002-7863. Dostupné z: https://doi.org/10.1021/jacs.6b08589.

@article{1400314,
   author = {Fiala, Tomáš and Ludvíková, Lucie and Heger, Dominik and Švec, Jan and Slanina, Tomáš and Vetráková, Ľubica and Babiak, Michal and Nečas, Marek and Kulhánek, Petr and Klán, Petr and Šindelář, Vladimír},
   article_location = {WASHINGTON},
   article_number = {7},
   doi = {https://doi.org/10.1021/jacs.6b08589},
   keywords = {DENSITY-FUNCTIONAL CALCULATIONS; ORDER REGULAR APPROXIMATION; CHARGE-TRANSFER SALTS; MOLECULAR-DYNAMICS; CATION RADICALS; METHYLVIOLOGEN; REDUCTION; PHOTOCHEMISTRY; ORGANOSILICA; ACETONITRILE},
   language = {eng},
   issn = {0002-7863},
   journal = {Journal of the American Chemical Society},
   title = {Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals},
   url = {http://pubs.acs.org/doi/10.1021/jacs.6b08589},
   volume = {139},
   year = {2017}
}

TY  - JOUR
ID  - 1400314
AU  - Fiala, Tomáš - Ludvíková, Lucie - Heger, Dominik - Švec, Jan - Slanina, Tomáš - Vetráková, Ľubica - Babiak, Michal - Nečas, Marek - Kulhánek, Petr - Klán, Petr - Šindelář, Vladimír
PY  - 2017
TI  - Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals
JF  - Journal of the American Chemical Society
VL  - 139
IS  - 7
SP  - 2597-2603
EP  - 2597-2603
PB  - American Chemical Society
SN  - 00027863
KW  - DENSITY-FUNCTIONAL CALCULATIONS
KW  - ORDER REGULAR APPROXIMATION
KW  - CHARGE-TRANSFER SALTS
KW  - MOLECULAR-DYNAMICS
KW  - CATION RADICALS
KW  - METHYLVIOLOGEN
KW  - REDUCTION
KW  - PHOTOCHEMISTRY
KW  - ORGANOSILICA
KW  - ACETONITRILE
UR  - http://pubs.acs.org/doi/10.1021/jacs.6b08589
L2  - http://pubs.acs.org/doi/10.1021/jacs.6b08589
N2  - Methyl viologen hexafluorophosphate (MV2+center dot 2PF(6)(-)) and dodecamethylbambus[6]uril (BU6) form crystals in which the layers of viologen dications alternate with those of a 1:2 supramolecular complex of BU6 and PF6-. This arrangement allows for a one-electron reduction of MV2+ ions upon UV irradiation to form MV+center dot radical cations within the crystal structure with half-lives of several hours in air. The mechanism of this photoinduced electron transfer in the solid state and the origin of the long-lived charge-separated state were studied by steady-state and transient spectroscopies, cyclic voltammetry, and electron paramagnetic resonance spectroscopy. Our experiments are supported by quantum-chemical calculations showing that BU6 acts as a reductant. In addition, analogous photochemical behavior is also demonstrated on other MV2+/BU6 crystals containing either BF4- or Br- counterions.
ER  -

FIALA, Tomáš; Lucie LUDVÍKOVÁ; Dominik HEGER; Jan ŠVEC; Tomáš SLANINA; Ľubica VETRÁKOVÁ; Michal BABIAK; Marek NEČAS; Petr KULHÁNEK; Petr KLÁN a Vladimír ŠINDELÁŘ. Bambusuril as a One-Electron Donor for Photoinduced Electron Transfer to Methyl Viologen in Mixed Crystals. \textit{Journal of the American Chemical Society}. WASHINGTON: American Chemical Society, 2017, roč.~139, č.~7, s.~2597-2603. ISSN~0002-7863. Dostupné z: https://doi.org/10.1021/jacs.6b08589.

Přehled o publikaci