Search results for "analytical"
showing 10 items of 9586 documents
Vibrational analysis of Ni(II)- and Cu(II)-octamethylchlorin by polarized resonance Raman and Fourier transform infrared spectroscopy
2001
We measured the polarized resonance Raman spectra of Cu(II)-2,2,7,8,12,13,17,18-octamethylchlorin in CS2 at various excitation wavenumbers in a spectral region covering the Qy, Qx and Bx optical absorption bands. Additionally, we measured the FTIR-Raman spectrum of the highly overcrowded spectral region between 1300 and 1450 cm−1. The spectral decomposition was carried out by a self-consistent global fit to all spectra obtained. The thus identified Raman and IR lines were assigned by comparison with the resonance Raman spectra of Cu(II)-octaethylporphyrin, by utilizing their depolarization ratio dispersions and by a normal mode analysis. The latter was based on a modified transferable molec…
Study of water adsorption and capillary bridge formation for SiO(2) nanoparticle layers by means of a combined in situ FT-IR reflection spectroscopy …
2014
Water adsorption and capillary bridge formation within a layer of SiO2-nanoparticles were studied in situ by means of a combination of quartz crystal microbalance (QCM-D) with dissipation analysis and Fourier transformation infrared reflection absorption spectroscopy (FT-IRRAS). FT-IR data were employed to distinguish the “ice-like” and “liquid-like” contributions and to support the analysis of the QCM-D data concerning mass change and dissipation. Combined measurements show that for SiO2-nanoparticles with a diameter of about 250 nm, the formation of two adsorbed monolayers of water as well as bulk water leads to a rather linear increase in the dissipation for relative humidity values of u…
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.
Detection of 4T1(P) quartet of Co2+ in Zn99.95Co0.05Se monocrystal by optical absorption spectroscopy
2003
Abstract Optical absorption spectra of Zn 99.95 Co 0.05 Se were recorded at 25 K. The thickness and the concentration of cobalt were adjusted to obtain sharp d–d ∗ transitions of Co 2+ corresponding not only to multiplets of 4 T 1 (P) but also to higher excited states. For the first time, a very weak quartet splitting of 4 T 1 (P) state was clearly observed and these states were located between 1.464 and 1.517 eV. Higher series of energy states were found to lie in the range 1.98–2.108 eV which are expected on the basis of theoretical calculations but were not detected before and they were tentatively assigned to a lower multiplet of 2G configuration of free ion. The next series of transiti…
On nature of the transient IR-absorption STE-like bands at 0.15–0.36eV in alkali halides
2001
New evidence is given that two classes (A and B) of the transient IR-absorption bands: (A) with max. at 0.15-0.36 eV (in NaCl : I, NaBr, NaI, KCl : I, KBr : I, RbCl : I, RbBr : I), due to on-centre self-trapped exciton and (B) with max. at 0.27-0.36 eV (in NaCI, KCl, KBr, RbCl), due to shallow trapped electrons or bound polarons, are caused by the same defect-shallow trapped electron (e-) at the substitutional (cation: c-site) alkali impurity cation (M + ): [M - ] 0 c e - . The A- and B-class IR bands have the same location, similar shape, half-width (exactly coincide for KCl : I and KCl at 80 or 10 K with the same vibration structure). It is established that the same Mollwo-Ivey plot curve…
Irradiation effects on the OH-related infrared absorption band in synthetic wet silica.
2007
The effects of b-irradiation on the OH-related infrared (IR) absorption band in synthetic wet silica samples have been investigated by Fourier transform infrared spectroscopy. Depending on the accumulated doses, b-irradiation affects different zones of the IR composite band at about 3670 cm 1 , assigned to the OH stretching modes of silanol groups. These modifications are independent of the original OH content. The results are discussed considering possible radiation-induced changes of the silanol bonding configuration and of the glass network. These are monitored by revealing the IR band a 2260 cm 1 , which is related to the distribution of Si–O–Si bond angle. We have identified the existence of…
Iodine−Benzene Complex as a Candidate for a Real-Time Control of a Bimolecular Reaction. Spectroscopic Studies of the Properties of the 1:1 Complex I…
2009
The properties of the 1:1 iodine-benzene complex isolated in a solid Kr matrix at low temperatures have been studied using UV-vis absorption, FTIR, resonance Raman, and femtosecond coherent anti-Stokes Raman spectroscopy (fs-CARS). The use of all these techniques on similar samples provides a wide view on the spectroscopic properties of the complex and allows comparison and combination of the results from different methods. The results for the complex cover its structure, the changes in the iodine molecule's vibrational frequencies and electronic absorption spectrum upon complexation, and the dynamics of the complexed I(2) molecule on both ground and excited electronic states. In addition, …
Tuning the photophysical properties of cationic iridium(iii) complexes containing cyclometallated 1-(2,4-difluorophenyl)-1H-pyrazole through function…
2012
Four new heteroleptic iridium(III) complexes in the family [Ir(dfppz)(2)((NN)-N-boolean AND)](+), where Hdfppz = 1-(2,4-difluorophenyl)-1H-pyrazole and (NN)-N-boolean AND = 6-phenyl-2,2'-bipyridine (1), 4,4'-(di-tert-butyl)-6-phenyl-2,2'-bipyridine (2), 4,4'-(di-tert-butyl)-6,6'-diphenyl-2,2'-bipyridine (3) and 4,4'-bis(dimethylamino)-2,2'-bipyridine (4), have been synthesized as the hexafluoridophosphate salts and fully characterized. Single crystal structures of ligand 3 and the precursor [Ir-2(dfppz)(4)(mu-Cl)(2)] have been determined, along with the structures of the complexes 4{[Ir(dfppz)(2)(1)][PF6]}center dot 3CH(2)Cl(2), [Ir(dfppz)(2)(3)][PF6]center dot CH2Cl2 and [Ir(dfppz)(2)(4)][…
Miscibility of cyanine dyes in two-dimensional aggregates
1995
Mixed aggregates of cyanine dyes at a charged lipid monolayer surface are studied by absorption spectroscopy, fluorescence microscopy and electron diffraction. We show that slight variations of the molecular structure can convert a system from being fully miscible to being immiscible, and also that the concentrations of dyes in the solution and in the crystal may deviate considerably. The different concentration in the solution and crystal was observed for a molecule where force field calculations indicated the existence of two isomers in solution and where probably only one fits into the lattice.
Line intensities of CH3D in the Triad region: 6–10μm
2004
Abstract Line intensities of the three lowest fundamentals of the 12CH3D Triad are modeled with an RMS of 3.2% using over 2100 observed values retrieved by multispectrum fitting of enriched sample spectra recorded with two Fourier transform spectrometers. The band strengths of the Triad in units of 10−18 cm−1/(molecule cm−2) at 296 K are, respectively, 2.33 for ν6 (E) at 1161 cm−1, 1.75 for ν3 (A1) at 1307 cm−1 and 0.571 for ν5 (E) at 1472 cm−1. The total calculated absorption arising from 12CH3D Triad fundamentals is 4.65×10−18 cm−1/(molecule cm−2) at 296 K. In addition, some 740 intensities of nine hotbands are fitted to 8.1%; most of the hotband measurements belong to 2ν6−ν6 and ν3+ν6−ν3…