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.

Basic information

Original name

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

Authors

FIALA, Tomáš (203 Czech Republic, belonging to the institution), Lucie LUDVÍKOVÁ (203 Czech Republic, belonging to the institution), Dominik HEGER (203 Czech Republic, belonging to the institution), Jan ŠVEC (203 Czech Republic, belonging to the institution), Tomáš SLANINA (203 Czech Republic, belonging to the institution), Ľubica VETRÁKOVÁ (703 Slovakia, belonging to the institution), Michal BABIAK (703 Slovakia, belonging to the institution), Marek NEČAS (203 Czech Republic, belonging to the institution), Petr KULHÁNEK (203 Czech Republic, belonging to the institution), Petr KLÁN (203 Czech Republic, belonging to the institution) and Vladimír ŠINDELÁŘ (203 Czech Republic, guarantor, belonging to the institution)

Edition

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

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10401 Organic chemistry

Country of publisher

United States of America

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

URL

Impact factor

Impact factor: 14.357

RIV identification code

RIV/00216224:14310/17:00095285

Organization unit

Faculty of Science

DOI

http://dx.doi.org/10.1021/jacs.6b08589

UT WoS

000394829200016

Keywords in English

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

Abstract

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.

Links

GA13-15576S, research and development project

Name: Syntéza a supramolekulární vlastnosti bambusurilů

Investor: Czech Science Foundation

LM2015043, research and development project

Name: Česká infrastruktura pro integrativní strukturní biologii (Acronym: CIISB)

Investor: Ministry of Education, Youth and Sports of the CR

LM2015051, research and development project

Name: Centrum pro výzkum toxických látek v prostředí (Acronym: RECETOX RI)

Investor: Ministry of Education, Youth and Sports of the CR

LM2015085, research and development project

Name: CERIT Scientific Cloud (Acronym: CERIT-SC)

Investor: Ministry of Education, Youth and Sports of the CR, CERIT Scientific Cloud

LO1214, research and development project

Name: Centrum pro výzkum toxických látek v prostředí (Acronym: RECETOX)

Investor: Ministry of Education, Youth and Sports of the CR

LQ1601, research and development project

Name: CEITEC 2020 (Acronym: CEITEC2020)

Investor: Ministry of Education, Youth and Sports of the CR

Citovat

FIALA, Tomáš, Lucie LUDVÍKOVÁ, Dominik HEGER, Jan ŠVEC, Tomáš SLANINA, Ľubica VETRÁKOVÁ, Michal BABIAK, Marek NEČAS, Petr KULHÁNEK, Petr KLÁN and 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, vol. 139, No 7, p. 2597-2603. ISSN 0002-7863. Available from: https://dx.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 = {http://dx.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 and 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, vol.~139, No~7, p.~2597-2603. ISSN~0002-7863. Available from: https://dx.doi.org/10.1021/jacs.6b08589.

Detailed Information on Publication Record