Search results for "PHOTOCHEMISTRY"
showing 10 items of 2034 documents
Ab Initio Study on the Mechanism of the Reactions of the Nitrate Radical with Haloalkenes: 1,2-Dichloroethene, 1,1-Dichloroethene, Trichloroethene, …
2000
A general mechanism for the reactions of the NO3 radical with 1,2-dichloroethene, 1,1-dichloroethene, trichloroethene, and tetrachloroethene is proposed from ab initio DFT calculations. The calculated mechanism shows three main parallel reaction pathways. For the systems where the two carbon atoms are differently substituted, the study includes both the attacks with Markownikoff and contra-Markownikoff orientation. The first reaction pathway leads to the formation of an epoxide along with the NO2 radical, the second one to the formation of carbonyl compounds, and the third one leads, through the cleavage of the C−C bond, to the formation of carbonyl compounds with a lower number of carbon a…
Impact of hydroxy and octyloxy substituents of phenothiazine based dyes on the photovoltaic performance
2013
Two novel organic dyes containing hydroxy and octyloxy substituents onto a phenothiazine skeleton were synthesized and their effects on the photovoltaic performance were studied. Hydroxy acts as an ancillary anchoring unit along with the carboxylic group, while the phenothiazine modified moiety acts as an electron donor. The photophysical and electrochemical studies revealed that maximum absorbance of the dye with the hydroxy group in the solution was blue shifted and its band gap increased, indicating that donor acceptor strength was reduced as compared to the octyloxy substituted dye. Furthermore, electron lifetime of the organic dye with the hydroxy moiety was shorter due to smaller resi…
Synthesis and photovoltaic performance of dihydrodibenzoazepine-based sensitizers with additional lateral anchor
2013
Three novel metal-free organic dyes with dihydro-5H-dibenzo[b,f]azepine as a donor and cyanoacrylic acid as an anchoring unit were designed as an innovative linear skeleton of D-D-pi-A type of organic dyes. The conversion efficiency of the derived dye-sensitized solar cells is moderate. Among them, the dye with a hydroxy group as an additional anchoring moiety exhibited the highest UV-Vis absorption with a maximum molar extinction coefficient of 24,136 M-1 cm(-1) at lambda(max) = 458 nm and the best photovoltaic performance with an overall power conversion efficiency of 4.88%, while the dye with a carboxy group as an additional anchoring moiety exhibited the lowest conversion efficiency (4.…
A Simple System Based on a Thiourea-Modified Fluorescein for ω-Amino Acid Discrimination
2015
A thiourea-modified fluorescein derivative was synthesized by reaction of fluorescein isothiocyanate with 2-(2-aminoethoxy)ethan-1-ol. UV/Vis absorption and fluorescence emission spectroscopy studies demonstrated that this heteroditopic receptor was able to discriminate among linear aliphatic ω-amino acids with different chain lengths.
Electronic structure of phthalocyanines : Theoretical investigation of the optical properties of phthalocyanine monomers, dimers, and crystals
1990
We present valence effective Hamiltonian (VEH) calculations on the optical absorptions of a series of phthalocyanine compounds: the metal‐free phthalocyanine molecule, a model system for the lithium phthalocyanine molecule, the metal‐free phthalocyanine dimer, and model systems for the lutetium diphthalocyanine and the lithium phthalocyanine crystal. For these compounds, it is found that the major factor influencing the evolution of the optical transitions is not the electronic structure of the metal but rather the geometric structure: phthalocyanine intraring geometry and, in the dimers and crystals, interring separation and staggering angle. The origin of the so‐called Soret or B absorpti…
Characterization of triphenylamino-based polymethine dyes
2013
In this high-technology application, age functional dyes especially polymethine dyes have captured much attention of the researchers due to their immense potential for high-tech uses. Polymethine dyes show promising absorption spectra in the visible range, which can be easily exploited for the use of written text copying, photographic imaging, or photothermographic recording materials. Keeping this in mind, our research is composed of an investigation of two triphenylamino-based polymethine dyes, a known polymethine dye 3 and a new one polymethine dye 5, which have been synthesized by the reaction of 4-(diphenylamino) benzaldehyde 2 and 4,4′-(phenylazanediyl) dibenzaldehyde 4 with 4,4′-viny…
Photophysical behavior of 3-methylquinoline and 3-bromoquinoline
1992
Abstract The phosphorescence emission and excitation spectra and their polarizations have been studied for 3-methylquinoline and 3-bromoquinoline in methylcyclohexane and ethanol glasses at 77 K. From the results obtained in 3-methylquinoline (τp = 1.30 s in ethanol, τp = 1.05 s in methylcyclohexane and the out-of-plane polarization) it is concluded that the emission originates from a triplet state of 3ππ∗ character. In 3-bromoquinoline, the phosphorescence lifetimes (ca. 8 ms in a non-polar solvent and 15 ms in a polar solvent) and the negative degree of polarization indicate an emitting state of ππ∗ character that is strongly coupled to a higher-lying triplet state of the nπ∗ type. The mo…
Regioselective Hydrogenation of a 60-Carbon Nanographene Molecule toward a Circumbiphenyl Core.
2019
Regioselective peripheral hydrogenation of a nanographene molecule with 60 contiguous sp2 carbons provides unprecedented access to peralkylated circumbiphenyl (1). Conversion to the circumbiphenyl core structure was unambiguously validated by MALDI-TOF mass spectrometry, NMR, FT-IR, and Raman spectroscopy. UV–vis absorption spectra and DFT calculations demonstrated the significant change of the optoelectronic properties upon peripheral hydrogenation. Stimulated emission from 1, observed via ultrafast transient absorption measurements, indicates potential as an optical gain material.
Spectroscopic and quantum chemical study of pressure effects on solvated chlorophyll
2004
Abstract Hydrostatic pressure effects up to 907 MPa on absorption spectra of chlorophyll a molecules dissolved in diethyl ether have been studied at ambient temperature both experimentally and theoretically using quantum chemistry methods. The fluorescence spectra are studied only experimentally. The data suggest that coordination interactions between the central Mg atom of the chlorophyll and solvent molecules along with interactions that modify the porphyrin skeleton of the solute are responsible for the observed differences of pressure dependence of the Q y , Q x , and Soret spectral bands. The coordination number of the Mg atom changes from five to six between 400 and 600 MPa.
Intramolecular charge transfer and enhanced quadratic optical non-linearities in push pull polyenes
1997
Abstract Push-pull polyenes, which have an electron-donating group (D) and an electron-withdrawing group (A) grafted on opposite ends of a conjugated polyenic chain, are of particular interest as model compounds for long-distance intramolecular charge transfer (ICT), as well as potent non-linear optical chromophores. Several series of push-pull polyenes of increasing length, combining aromatic donor moieties and various acceptor groups, have been prepared and studied. Their linear and non-linear optical properties have been investigated by performing electro-optical absorption measurements (FOAM) and electric-field-induced second-harmonic generation (EFISH) experiments in solution. Each mol…