Search results for "PHOTOCHEMISTRY"
showing 10 items of 2034 documents
Regiochemical memory in the adiabatic photolysis of thymine-derived oxetanes. A combined ultrafast spectroscopic and CASSCF/CASPT2 computational stud…
2020
[EN] The photoinduced cycloreversion of oxetanes has been thoroughly investigated in connection with the photorepair of the well-known DNA (6-4) photoproducts. In the present work, the direct photolysis of the two regioisomers arising from the irradiation of benzophenone (BP) and 1,3-dimethylthymine (DMT), namely the head-to-head (HH-1) and head-to-tail (HT-1) oxetane adducts, has been investigated by combining ultrafast spectroscopy and theoretical multiconfigurational quantum chemistry analysis. Both the experimental and computational results agree with the involvement of an excited triplet exciplex(3)[BPMIDLINE HORIZONTAL ELLIPSISDMT]* for the photoinduced oxetane cleavage to generate(3)…
Excited-state non-radiative decay in stilbenoid compounds: An: Ab initio quantum-chemistry study on size and substituent effects
2019
In the framework of optoelectronic luminescent materials, non-radiative decay mechanisms are relevant to interpret efficiency losses. These radiationless processes are herein studied theoretically for a series of stilbenoid derivatives, including distyrylbenzene (DSB) and cyano-substituted distyrylbenzene (DCS) molecules in vacuo. Given the difficulties of excited-state reaction path determinations, a simplified computational strategy is defined based on the exploration of the potential energy surfaces (PES) along the elongation, twisting, and pyramidalization of the vinyl bonds. For such exploration, density functional theory (DFT), time-dependent (TD)DFT, and complete-active-space self-co…
Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer
2018
[EN] The search for bifunctional materials showing synergies between spin crossover (SCO) and luminescence has attracted substantial interest since they could be promising platforms for new switching electronic and optical technologies. In this context, we present the first three-dimensional Fe-II Hofmann-type coordination polymer exhibiting SCO properties and luminescence. The complex {Fe-II(bpben)[Au(CN)(2)]}@pyr (bpben = 1,4-bis(4-pyridyl)benzene) functionalized with pyrene (pyr) guests undergoes a cooperative multi-step SCO, which has been investigated by single crystal X-ray diffraction, single crystal UV-Vis absorption spectroscopy, and magnetic and calorimetric measurements. The resu…
Metal-free organic dyes with di(1-benzothieno)[3,2-b:2′,3′-d]pyrrole as an auxiliary donor for efficient dye-sensitized solar cells: Effect of the mo…
2019
Abstract A series of novel di(1-benzothieno)[3,2-b:2′,3′-d]pyrrole (DBTP)-based organic dyes (WL5-10) with D-D-π-A or D-D-A-π-A configurations are designed and the relationship between the properties and molecular configurations of these organic dyes are studied systematically. WL5,7–8 with D-D-π-A configuration incorporating triphenylamine or phenothiazine as donor and DBTP as auxiliary donor and WL9-10 with D-D-A-π-A configuration incorporating benzothiadiazole as an auxiliary acceptor are synthesized to study the effect of the molecular engineering on the photovoltaic performance. WL5,7–8 exhibit similar absorption spectra and high molar extinction coefficient. Especially, the dye WL5 wi…
Dithienopyrrolobenzothiadiazole-based organic dyes for efficient dye-sensitized solar cells
2014
Four novel D–π–A metal-free organic dyes DTP1–4 containing a dithienopyrrolobenzothiadiazole (DTPBT) unit were synthesized and applied in dye-sensitized solar cells, where DTPBT was employed as a π-spacer for the first time. The photophysical, electrochemical and photovoltaic properties of the dyes were systematically investigated. The dyes DTP1–4 showed broad absorption spectra and high molar extinction coefficient, resulting in high light harvesting efficiency. In addition, the impacts of donors and the thiophene unit as an additional π-spacer were also studied. The results showed that the dye DTP4 with triphenylamine as the donor exhibited better photovoltaic performance than DTP1–3 with…
Photo-induced electron transfer at nanostructured semiconductor–zinc porphyrin interface
2014
Abstract Electron transfer at metal oxide–organic dye interface on ZnO nanorod (ZnOr) templates was studied by femtosecond absorption spectroscopy method. Further confirmation of the electron transfer was obtained from photoelectrical studies. The fastest electron transfer from zinc porphyrin (ZnP) to semiconductor was observed for ZnOr modified by a 5 nm layer of TiO2 (
Anti-recombination organic dyes containing dendritic triphenylamine moieties for high open-circuit voltage of DSSCs
2013
Abstract Three novel sensitizers with dendritic triphenylamine moieties were synthesized and used for dye-sensitized solar cells (DSSCs). Their absorption spectra, electrochemical and photovoltaic properties were extensively investigated. All three DSSCs exhibit high open-circuit voltage over 0.8 V. The photovoltaic results indicate that the dendritic triphenylamine units improve the open-circuit voltage, which is attributed to the retardation of charge recombination, demonstrating that non-planar and larger molecules exert better blocking function. Under standard global AM 1.5 solar conditions, the best performance of the DSSCs exhibits a short-circuit current density of 10.35 mA cm−2, an …
Ambipolar Phosphine Derivatives to Attain True Blue OLEDs with 6.5% EQE
2016
A family of new branched phosphine derivatives {Ph2N-(C6H4)n-}3P → E (E = O 1-3, n = 1-3; E = S 4-6, n = 1-3; E = Se 7-9, n = 1-3; E = AuC6F5 4-6, n = 1-3), which are the donor-acceptor type molecules, exhibit efficient deep blue room temperature fluorescence (λem = 403-483 nm in CH2Cl2 solution, λem = 400-469 nm in the solid state). Fine tuning the emission characteristics can be achieved varying the length of aromatic oligophenylene bridge -(C6H4)n-. The pyramidal geometry of central R3P → E fragment on the one hand disrupts π-conjugation between the branches to preserve blue luminescence and high triplet energy, while on the other hand provides amorphous materials to prevent excimer form…
Donor and acceptor substituted triphenylamines exhibiting bipolar charge-transporting and NLO properties
2017
Donor-acceptor type triphenylamine-based malonodinitriles were synthesized and their thermal, optical, photophysical, electrochemical and nonlinear optical properties were studied. The synthesized compounds formed glasses with the glass transition temperatures ranging from 38 to 107 °C. The ionization potentials of the samples of the compounds established by cyclic voltammetry were found to be in the range of 5.50–5.57 eV, while those estimated by photoelectron emission spectrometry ranged from 5.36 to 5.74 eV. The electron affinity values of the compounds were found to be in the range of −3.41–−3.05 eV. The ambipolar charge-transporting properties were observed for the layers of triphenyla…
UV-tunable upper critical solution temperature behavior of azobenzene containing poly(methyl methacrylate) in aqueous ethanol
2015
A series of azobenzene containing copolymers were synthesized by post-modification of poly(methyl methacrylate-co-pentafluorophenyl methacrylate) with an amine-functionalized azobenzene. Light- and thermo-responsive behavior of these copolymers was investigated in ethanol–water solvent mixtures with various amounts of ethanol. The upper critical solution temperature (UCST) of the polymer solutions, resulting from the poly(methyl methacrylate), was found to be highly tunable by the substitution degree of the copolymers as well as the ethanol content of the solvent mixture. In addition, the copolymers are light responsive based on the cis–trans isomerization of the azobenzene group under UV i…