Search results for "SPECTRA"
showing 10 items of 3542 documents
A five-coordinate manganese(iii) complex of a salen type ligand with a positive axial anisotropy parameter D.
2017
A new high-spin d4 roughly trigonal–bipyramidal (TBP) manganese(III) complex with a salen type ligand (H2L), namely MnL(NCS)·0.4H2O, has been synthesised and characterised by elemental analysis, ESI mass spectrometry, IR and UV-vis spectroscopy, and spectroelectrochemistry. X-ray diffraction analysis revealed an axial compression of the approximate TBP. Temperature dependent magnetic susceptibility and variable-temperature variable-field (VTVH) magnetisation measurements, as well as high-frequency and -field EPR (HFEPR) spectroscopy, were used to accurately describe the magnetic properties of this complex and, in particular, determine the spin Hamiltonian parameters: g-values and the zero-f…
Electronic Absorption Spectra of HXeCl, HXeBr, HXeI, and HXeCN in Xe Matrix
2000
The electronic UV absorption spectra of thermal reaction products H−Xe−Y (Y= Cl, Br, I, or CN) have been measured in solid Xe at 12 K. The spectra are obtained after the annealing of an extensively...
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…
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, …
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…
XAFS study of gadolinium and samarium bisporphyrinate complexes.
2001
The comparative X-ray absorption spectroscopy study of gadolinium and samarium bisporphyrinate complexes represented by the formulas Gd(III)H(oep)(tpp), Gd(III)(oep)(2), Gd(III)H(tpp)(2) and Sm(III)H(oep)(tpp), Sm(III)(oep)(2), Sm(III)H(tpp)(2) is reported. The XAFS spectra are recorded on the LURE-DCI storage ring (Orsay, France) in transmission mode on the microcrystalline samples at the Gd and Sm L(3) edges. The local environment for Ln(3+) ions has been reconstructed applying one-shell and two-shell XAFS analysis procedures. The protonated and nonprotonated bisporphyrinate complexes present different XAFS features. After our analysis on the title derivatives, the gadolinium ion (at 80 K…
Double-Electron Excitations in L-edges X-ray-Absorption Spectra of W, Ir and Cs Oxide Compounds
1993
Very strong double-electron excitations have been observed for the first time in the W, Ir L 3-edge and Cs L 1,2,3-edges X-ray-absorption spectra of tungsten and iridium oxide thin films and cesium oxide containing glasses. They are expressed as peaks with a width of several electron-volts located at the absorption background above the edge. The positions of these features are in good agreement with atomic calculations in the Z+1 approximation. They can be attributed to the transitions 2p4d → 5d5d for the L 2,3-edges and 2s4d → 6p5d for the L 1-edge with the dipole selection rules for the angular and total angular momentum ΔL=±1, ΔJ=0,±1.
OH-related Infrared Absorption Bands in Oxide Glasses
2005
We report the infrared activity, in the spectral region of the OH stretching modes, of different composite silicate glasses whose chemical composition is established by X-ray fluorescence measurements. The analysis of the absorption line profiles is made in terms of different spectral contributions, Gaussian in shape. The comparison with analogous spectra obtained in vitreous silica samples with impurity concentrations < 100 part per million moles is evidence of the effects of the different oxides on the vibrational properties of the OH groups. In particular, for oxide glasses a red shift of the composite band at about 3670 cm(-1), assigned to the OH stretching modes of free Si-OH groups an…
Interactions of amino acids with aluminum octacarboxyphthalocyanine hydroxide. Experimental and DFT studies
2017
The influence of albumin and amino acids (l-serine, glycine, l-histidine, l-tryptophan, l-cysteine) on the properties of aluminum octacarboxyphthalocyanine hydroxide (Al(OH)PcOC) was investigated in a phosphate buffer (pH 8.0). Particular attention was paid to the spectroscopic properties and photostability of Al(OH)PcOC. The effect of albumin or amino acids on the photodegradation of Al(OH)PcOC was examined in water using red light: 685 nm and daylight irradiation. Analysis of kinetic curves indicated that interaction with those molecules increases the photostability of Al(OH)PcOC. The molecular structure of Al(OH)PcOC complexes (in vacuum and in water) with axially or equatorially coordin…
Dynamics behind the long-lived coherences of I2 in solid Xe.
2013
The absorption spectrum of I2 in solid Xe shows resolved zero-phonon lines and phonon side bands near the origin of the B←X transition (550-625 nm). The long-lived |B⟩⟨X| coherence in this energy range (T2 = 600 fs on average) emerges as vibrationally unrelaxed fluorescence in resonance Raman (RR) spectra. Upon excitation in the structureless continuum at 532 nm, the oscillatory RR progression exhibits electronic dephasing time of T2 = 150 fs. Two RR progressions with markedly different vibrational coherence on the X-state are observed. The main progression of sharp overtones (T221 ps) is assigned to molecules trapped in double-substitution sites. The minor progression, which shows dephasin…