TY  - JOUR
A1  - Lood, Kajsa
A1  - Schmidt, Bernd
T1  - Stereoselective synthesis of conjugated polyenes based on tethered olefin metathesis and carbonyl olefination
BT  - application to the total synthesis of (+)-bretonin B
JF  - The journal of organic chemistry
N2  - The combination of a highly stereoselective tethered olefin metathesis reaction and a Julia-Kocienski olefination is presented as a strategy for the synthesis of conjugated polyenes with at least one Z-configured C=C bond. The strategy is exemplified by the synthesis of the marine natural product (+)-bretonin B.
KW  - absolute-configuration
KW  - natural-products
KW  - formal synthesis
KW  - oxidation
KW  - derivatives
KW  - aldehydes
KW  - catalysts
KW  - alcohols
KW  - sponge
KW  - ethers
Y1  - 2020
U6  - https://doi.org/10.1021/acs.joc.0c00446
SN  - 0022-3263
SN  - 1520-6904
VL  - 85
IS  - 7
SP  - 5122
EP  - 5130
PB  - American Chemical Society
CY  - Washington
ER  - 
TY  - JOUR
A1  - Fudickar, Werner
A1  - Linker, Torsten
T1  - Reversible Photooxygenation of Alkynylanthracenes chemical generation of singlet oxygen under very mild conditions
JF  - Chemistry - a European journal
KW  - anthracenes
KW  - oxidation
KW  - peroxides
KW  - reversibility
KW  - singlet oxygen
Y1  - 2011
U6  - https://doi.org/10.1002/chem.201102230
SN  - 0947-6539
VL  - 17
IS  - 49
SP  - 13661
EP  - 13664
PB  - Wiley-VCH
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Wirth, Jonas
A1  - Neumann, Rainer
A1  - Antonietti, Markus
A1  - Saalfrank, Peter
T1  - Adsorption and photocatalytic splitting of water on graphitic carbon nitride
BT  - a combined first principles and semiempirical study
JF  - physical chemistry, chemical physics : PCCP
N2  - Graphitic carbon nitride, g-C₃N₄, is a promising organic photo-catalyst for a variety of redox reactions. In order to improve its efficiency in a systematic manner, however, a fundamental understanding of the microscopic interaction between catalyst, reactants and products is crucial. Here we present a systematic study of water adsorption on g-C₃N₄ by means of density functional theory and the density functional based tight-binding method as a prerequisite for understanding photocatalytic water splitting. We then analyze this prototypical redox reaction on the basis of a thermodynamic model providing an estimate of the overpotential for both water oxidation and H⁺ reduction. While the latter is found to occur readily upon irradiation with visible light, we derive a prohibitive overpotential of 1.56 eV for the water oxidation half reaction, comparing well with the experimental finding that in contrast to H₂ production O₂ evolution is only possible in the presence of oxidation cocatalysts.
KW  - initio molecular-dynamics
KW  - augmented-wave method
KW  - visible-light
KW  - tight-binding
KW  - transition
KW  - oxidation
KW  - photooxidation
KW  - simulations
KW  - reduction
KW  - hydrogen
Y1  - 2014
U6  - https://doi.org/10.1039/c4cp02021a
SN  - 1463-9076
SN  - 1463-9084
VL  - 2014
IS  - 16
SP  - 15917
EP  - 15926
ER  - 
TY  - GEN
A1  - Wirth, Jonas
A1  - Neumann, Rainer
A1  - Antonietti, Markus
A1  - Saalfrank, Peter
T1  - Adsorption and photocatalytic splitting of water on graphitic carbon nitride
BT  - a combined first principles and semiempirical study
N2  - Graphitic carbon nitride, g-C₃N₄, is a promising organic photo-catalyst for a variety of redox reactions. In order to improve its efficiency in a systematic manner, however, a fundamental understanding of the microscopic interaction between catalyst, reactants and products is crucial. Here we present a systematic study of water adsorption on g-C₃N₄ by means of density functional theory and the density functional based tight-binding method as a prerequisite for understanding photocatalytic water splitting. We then analyze this prototypical redox reaction on the basis of a thermodynamic model providing an estimate of the overpotential for both water oxidation and H⁺ reduction. While the latter is found to occur readily upon irradiation with visible light, we derive a prohibitive overpotential of 1.56 eV for the water oxidation half reaction, comparing well with the experimental finding that in contrast to H₂ production O₂ evolution is only possible in the presence of oxidation cocatalysts.
T3  - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - paper 172 
KW  - augmented-wave method
KW  - hydrogen
KW  - initio molecular-dynamics
KW  - oxidation
KW  - photooxidation
KW  - reduction
KW  - simulations
KW  - tight-binding
KW  - transition
KW  - visible-light
Y1  - 2014
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-74391
SP  - 15917
EP  - 15926
ER  -