|
| ||
|
|
||
Absorption Wavelength (absorption + wavelength)
Kinds of Absorption Wavelength Selected AbstractsA New Sol,Gel Material Doped with an Erbium Complex and Its Potential Optical-Amplification Application,ADVANCED FUNCTIONAL MATERIALS, Issue 6 2005L.-N. Sun Abstract The crystal structure of a ternary Er(DBM)3phen complex (DBM,=,dibenzoylmethane; phen,=,1,10-phenanthroline) and its in-situ synthesis via a sol,gel process are reported. The infrared (IR), diffuse reflectance (DR), and fluorescence spectra of the pure complex and the Er3+/DBM/phen co-doped luminescent hybrid gel, formed via an in-situ method (ErDP gel), have been investigated. The results reveal that the erbium complex is successfully synthesized in situ in the ErDP gel. Excitation at the maximum absorption wavelength of the ligands resulted in the typical near-IR luminescence (centered at around 1.54,,m) resulting from the 4I13/2,,,4I15/2 transition of the Er3+ ion, which contributes to the efficient energy transfer from the ligands to the Er3+ ion in both the Er(DBM)3phen complex and the ErDP gel (an antenna effect). The full width at half maximum (FWHM) centered at 1541,nm in the emission spectrum of the ErDP gel is 72,nm, which has potential for optical-amplification applications. Further theoretical analysis on the Er3+ ion in the ErDP gel shows that it appears to be a promising candidate for tunable lasers and planar optical amplifiers. [source] Effect of water on zinc (II), cadmium (II) complexes with pyridylimidazole: Theoretical study of stability and electronic spectrumINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 2 2006Yi Liao Abstract The geometry structures of complexes such as [Zn(PIm)2(H2O)] and [Cd(PIm)2(H2O)2] [PIm = (2-(2,-pyridyl) imidazole)] are optimized by density functional theory (DFT) B3LYP methods. On the basis of their stable structures, the stability of the coordinated water existing in the complexes is analyzed quantitatively in terms of the interaction between the central metal and the coordinated water. The interaction energy of the Zn pyridylimidazole complex increased obviously by considering the intermolecular hydrogen bond (OH,N). The theoretical calculation well explained penta- and hexa-coordinated conformation, respectively, in Zn and Cd pyridylimidazole complexes. The spectral properties of the Zn Cd complexes have been studied by time-dependent density functional theory (TD-DFT). The calculation results show that the coordinated waters in Cd complexes have little effect on their spectral properties. While the axially coordinated waters in Zn pyridylimidazole cause a red shift in the absorption wavelength and change the pattern of charge transfer as a result of the effect of polarization from intermolecular hydrogen bond. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006 [source] Theoretical studies on the electronic and optical properties of two new alternating fluorene/carbazole copolymersJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 10 2005Li Yang Abstract Poly(fluorene)-type materials are widely used in polymer-based emitting devices. During operation there appears, however, an additional emission peak at around 2.3 eV, leading to both a color instability and reduced efficiency. The incorporation of the carbazole units has been proven to efficiently suppress the keto defect emission. In this contribution, we apply quantum-chemical techniques to investigate two series of alternating fluorene/carbazole oligomers and copolymers poly[2,7-(N-(2-methyl)-carbazole)- co - alt -2,7-m(9,9-dimethylfluorene)], namely, PFmCz (m = 1,2) and gain a detailed understanding of the influence of carbazole units on the electronic and optical properties of fluorene derivatives. The electronic properties of the neutral molecules, HOMO-LUMO gaps (,H-L), in addition to the positive and negative ions, are studied using B3LYP functional. The lowest excitation energies (Egs) and the maximal absorption wavelength ,abs of PFmCz (m = 1,2) are studied, employing the time-dependent density functional theory (TD-DFT). The properties of the two copolymers, such as ,H-L, Eg, IPs, and EAs were obtained by extrapolating those of the oligomers to the inverse chain length equal to zero (1/n = 0). The outcomes showed that the carbazole unit is a good electron-donating moiety for electronic materials, and the incorporation of carbazole into the polyfluorene (PF) backbone resulted in a broadened energy gap and a blue shift of both the absorption and photoluminescence emission peaks. Most importantly, the HOMO energies of PF1Cz and PF2Cz are both a higher average (0.4 eV) than polyfluorene (PF), which directly results in the decreasing of IPs of about 0.2 eV more than PF, indicating that the carbazole units have significantly improved the hole injection properties of the copolymers. In addition, the energy gap tends to broaden and the absorption and emission peaks are gradually blue-shifted to shorter wavelengths with an increase in the carbazole content in the copolymers. This is due to the interruption of the longer conjugation length of the backbone in the (F1Cz)n series. © 2005 Wiley Periodicals, Inc. J Comput Chem 26: 969,979, 2005 [source] Effect of aniline formaldehyde resin on the conjugation length and structure of doped polyaniline: Spectral studiesJOURNAL OF POLYMER SCIENCE (IN TWO SECTIONS), Issue 14 2005Ko-Shan Ho Abstract A DBSA (n -dodecylbenzene sulfate)-complexed aniline formaldehyde [AF(DBSA)1.0] was successfully synthesized with excess aniline (compared with formaldehyde) in the presence of n -dodecylbenzene sulfonic acid (HDBSA), which was complexed with aniline monomer before polymerization. The resin was carefully characterized with 1H and 13C NMR, electron spectroscopy for chemical analysis, and Fourier transform infrared and was demonstrated to be a polymer in which anilines were all complexed with HDBSA and became anilinium salts. A drastic decrease of the maximum absorption wavelength (ultraviolet,visible spectra) of DBSA-doped polyaniline [PANI(DBSA)0.5] was found when AF(DBSA)1.0 was mixed, and this resulted from the reduced conjugation length. A similar effect on PANI(DBSA)0.5 was found when free HDBSAs were mixed with PANI(DBSA)0.5. Visual inspection with an optical microscope revealed that PANI(DBSA)0.5/AF(DBSA)1.0 gave uniform morphologies in various compositions, showing possible miscibility for this system. X-ray diffraction patterns of PANI(DBSA)0.5/AF(DBSA)1.0 showed that the layered structure of PANI(DBSA)0.5 was still present but became shorter in the polyblend because of the presence of AF(DBSA)1.0. Solid-state 13C NMR spectra revealed that the reduced conjugation length was derived from the interaction of alkyl groups between HDBSA, complexed DBSA, and dopant DBSAs. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 3116,3125, 2005 [source] UV Absorption and Photoisomerixation of p -Methoxycinnamate Grafted Silicone,PHOTOCHEMISTRY & PHOTOBIOLOGY, Issue 2 2004Supason Pattanaargson ABSTRACT p -Methoxycinnamate moieties, UV-B-absorptive chromophores of the widely used UV-B filter, 2-ethylhexyl p -methoxycinnamate (OMC), were grafted onto the 7 mol% amino functionalized silicone polymer through amide linkages. Comparing with OMC, the resulting poly [3(p -methoxycinnamido)(propyl)(methyl)-dimethyl] siloxane copolymer (CAS) showed less E to Z isomerization when exposed to UV-B light. The absorption profiles of the product showed the maximum absorption wavelength to be similar to that of OMC but with less sensitivity to the type of solvent. Poly (methylhydrosiloxane) grafted with 10 mol%p -methoxycinnamoyl moieties was prepared through hydrosilylations of 2-propenyl- p -methoxycinnamate, in which the resulting copolymer showed similar results to those of CAS. [source] Role of structural modification on the electrical properties of poly(ethylene terephthalate) irradiated with 90-MeV carbon ion beamPOLYMER ENGINEERING & SCIENCE, Issue 6 2008A. Srivastava Thin films of poly(ethylene terephthalate) (PET) having a thickness of 100 ,m were exposed to different ion fluence of swift heavy ions of carbon in the range of 5 × 1011 , 5 × 1013 ions/cm2. The effect of ion beam on structural and electrical modification has been studied by UV/vis, FTIR, X-ray diffraction (XRD), Differential Scanning Calorimetery (DSC), and AC electrical measurement techniques. On irradiation, a shift in absorption wavelength toward the red end of spectrum with increase of ion fluence was observed. The intensity of crystalline IR bands and main diffraction peak in XRD pattern were found to decrease with increase in ion fluence. It indicates the loss of crystallinity induced by ion-beam irradiation. The crystallite size was found to increase on irradiation. The melting temperature (Tm) of PET films increased at a low ion dose (5.0 × 1012 ions/cm2), while it decreased at higher ion fluence (50.0 × 1012 ions/cm2). The dielectric constant (,,) of PET films was increased with increase of ion fluence. The modifications brought about in the dielectric constant are correlated with chemical and molecular structural changes occurring on irradiation. POLYM. ENG. SCI., 2008. © 2008 Society of Plastics Engineers. [source] Simple Bisthiocarbonohydrazones as Sensitive, Selective, Colorimetric, and Switch-On Fluorescent Chemosensors for Fluoride AnionsCHEMISTRY - A EUROPEAN JOURNAL, Issue 10 2007Feng Han Abstract Bisthiocarbonohydrazones are found to be a class of sensitive, selective, ratiometric, and colorimetric chemosensors for anions such as fluoride (F,) or acetate (Ac,). The sensitivities, or the binding constants of the sensors with anions, were found to be strongly dependent on the substituents appended on the ,-conjugation framework, the delocalization bridge CHN, the aromatic moiety, and the hetero atom in the CX group (X=O, S) of the sensors. Single-crystal structures and 1H,NMR titration analysis shows that the CHN moiety is a hydrogen-bond donor, and it is proposed that an additional CH,,,F hydrogen bond is formed for the sensors in the presence F,. A sensor bearing anthracenyl groups is demonstrated as a switch-on fluorescent chemosensor for F, and Ac,. The recognition of F, in acetonitrile (MeCN) by a sensor with nitrophenyl substituents is tolerant to MeOH (MeCN/MeOH=10:1, v/v) and water (MeCN/H2O=30:1, v/v); at these solvent ratios the absorption intensity of the sensor,F, complex solution at maximal absorption wavelength was attenuated to half of the original value in pure MeCN. [source] Synthesis, Structure, and Nonlinear Optical Properties of Cross-Conjugated Perphenylated iso -PolydiacetylenesCHEMISTRY - A EUROPEAN JOURNAL, Issue 1 2005Yuming Zhao Prof. Abstract Monodisperse, cross-conjugated perphenylated iso- polydiacetylene (iso- PDA) oligomers, ranging from monomer 15 to pentadecamer 25, have been synthesized by using a palladium-catalyzed cross-coupling protocol. Structural characteristics elucidated by X-ray crystallographic analysis demonstrate a non-planar backbone conformation for the oligomers due to the steric interactions between alkylidene phenyl groups. The electronic absorption spectra of the oligomers show a slight red-shift of the maximum absorption wavelength as the chain length increases from dimer 17,b to pentadecamer 25, a trend that has saturated by the stage of nonamer 22. Fluorescence spectroscopy confirms that the pendent phenyl groups present on the oligomer framework enhance emission, and the relative emission intensity consistently increases as a function of chain length n. The molecular third-order nonlinearities, ,, for this oligomer series have been measured via differential optical Kerr effect (DOKE) detection and show a superlinear increase as a function of the oligomer chain length n. Molecular modeling and spectroscopic studies suggest that iso- PDA oligomers (n>7) adopt a coiled, helical conformation in solution. [source] Excited State Intramolecular Proton Transfer of New Diphenyl- ethylene Derivatives Bearing Imino Group: A Combination of Experimental and Theoretical InvestigationCHINESE JOURNAL OF CHEMISTRY, Issue 7 2010Fang Gao Abstract In this paper, we described the synthesis and characterization of new diphenylethylene bearing imino group. We concentrated particularly on the investigation of the possibility of the excited state intramolecular charge transfer (ESIPT) of the new dyes experimentally and theoretically. The absorption and fluorescence spectroscopy of the dyes were determined in various solvents. The results showed that the maximal absorption wavelength of 2-[(4,- N,N -dimethylamino-diphenylethylene-4-ylimino)methyl]phenol (C1) and 4-[(4,- N,N -dimethylamino-diphenylethylene-4-ylimino)methyl]phenol (C2) exhibited almost independence on the solvent polarity. While as contrast, the maximal fluorescence wavelength of the dyes showed somewhat dependence on the solvent polarity. In particular, C1 displayed well-separated dual fluorescence spectroscopy. The second fluorescence peak was characterized with an "abnormal" fluorescence emission wavelength in aprotic solvents with large Stokes shift (ca. 140 nm in THF), which was much more than normal Stokes shift (ca. 30 nm in THF). This emission spectroscopy could be assigned to ESIPT emission. On the other hand, the ESIPT fluorescence of C1 was much reduced or lost in the protic solvents. While, only normal fluorescence emission was detected in various solvents. Although the absorption maxima of C1 exhibited about 10 nm red-shift with respect to those of C2, the normal fluorescence maxima of C1 and C2 were almost identical in various solvents. These results suggested that C1 could undergo ESIPT, but C2 was not able to proceed ESIPT. The molecular geometry optimization of phototautomers in the ground electronic state (S0) was carried out with HF method (Hartree-Fock) and at DFT level (Density Functional Theory) using B3LYP both, while the CIS was employed to optimize the geometries of the first singlet excited state (S1) of the phototautomers of C1 and C2 respectively. The properties of the ground state and the excited state of the phototautomers of C1 and C2, including the geometrical parameter, the energy, the frontier orbits, the Mulliken charge and the dipole moment change were performed and compared completely. The data were analyzed further based on our experimental results. Furthermore, the absorption and fluorescence spectra were calculated in theory and compared with the measured ones. The rate constant of internal proton transfer (9.831×1011 s,1) of C1 was much lower than that of salicylidene methylamine (C3, 2.045×1015 s,1), which was a typical Schiff base compound and was well demonstrated to undergo ESIPT easily under photoexcitation. [source] Multiscale Approach of Photochromism: Synthesis and Photochromic Properties of a Diarylethene in Solution, in Nanoparticles, and in Bulk Crystals,ADVANCED MATERIALS, Issue 3 2009Arnaud Spangenberg A new photochromic diarylethene, 1,2-bis(5,-ethoxy-2,-(2,-pyridyl) thiazolyl) perfluorocyclopentene (1), is synthesized. Nanoparticles are obtained by laser ablation at both 355 and 532 nm, corresponding to the absorption wavelengths of the open and the closed forms. 1 can be reversibly photoswitched in various states: organic solution, bulk crystal, nanoparticle colloidal solution, and single nanoparticle, as demonstrated by dark-field scattering spectroscopy. [source] Optimization and validation of a chromatographic method for the simultaneous quantification of six bioactive compounds in Rhizoma et Radix Polygoni CuspidatiJOURNAL OF PHARMACY AND PHARMACOLOGY: AN INTERNATI ONAL JOURNAL OF PHARMACEUTICAL SCIENCE, Issue 1 2008Guangsheng Qian ABSTRACT A reverse-phase HPLC method was developed for simultaneous quantification of six bioactive compounds in Rhizoma et Radix Polygoni Cuspidati. These compounds , polydatin (1), resveratrol (2), rhein (3), emodin (4), chrysophanol (5) and physcion (6) , were analysed from 24 authentic samples of the herb using UV HPLC. Based on the UV absorption characteristics of the six compounds, absorption wavelengths of 306 nm were chosen to quantify compounds 1 and 2, and 290 nm for compounds 3,6. A reliable and reproducible quantitative HPLC method for analysing authentic samples of Rhizoma et Radix Polygoni Cuspidati from different cultivation regions was developed. The results showed that the concentration of compound 1 in samples from Sichuan was almost 2-fold higher than that of samples acquired in Guangxi. Furthermore, compounds 3 and 5 were not found in all the samples tested. Thus, instead of using polydatin (1) and emodin (4) as markers for quality assessment, as in conventional practice, these findings show that compounds 2 and 6 are more suited to act as marker compounds for a more specific assessment of the quality of this herb. [source] | |||||||||||||