Search results for "Infrared"
showing 10 items of 2110 documents
Defect-induced blue luminescence of hexagonal boron nitride
2016
Abstract Native defect-induced photoluminescence around 400 nm (blue luminescence - BL) was studied in hBN materials with different size and various origins. The following spectral characterizations were used: spectra of luminescence and its excitation, luminescence dependence on temperature, luminescence kinetics, optically stimulated luminescence and infrared absorption. It was found, that the BL is characteristic for all these materials, which were studied. The BL forms a wide, asymmetric and phonon-assisted emission band at 380 nm. This luminescence can be excited either through the exciton processes, or with light from two defect-induced excitation bands at 340 nm and 265 nm. It was fo…
Thermal oxidation of the intermetallic phases Al 8 Mo 3 and AlMo 3
2017
Abstract The thermal oxidation reactions of the intermetallic phases Al8Mo3 and AlMo3 were investigated and analyzed by ex-situ powder-x-ray diffraction (XRD), difference thermal analysis (DTA), thermogravimetry (TGA), and infrared spectroscopy (IR). The initial oxidation reactions in air were found to yield Al2O3 and AlMo3 in the case of Al8Mo3 (Tonset =725 °C), and MoO3 as well as Al8−xMo3 (Tonset =435 °C) for the pure intermetallic phase AlMo3, respectively. Thus, both intermetallic phases are coexisting in an equilibrium within a temperature range of 300 °C under oxidizing conditions. The formation of β-Al2(MoO4)3 followed the second oxidizing process of the respective minority componen…
Heterogeneous Interactions between Gas-Phase Pyruvic Acid and Hydroxylated Silica Surfaces: A Combined Experimental and Theoretical Study
2019
The adsorption of gas-phase pyruvic acid (CH3COCOOH) on hydroxylated silica particles has been investigated at 296 K using transmission Fourier transform infrared (FTIR) spectroscopy and theoretical simulations. Under dry conditions (<1% relative humidity, RH), both the trans-cis (Tc) and trans-trans (Tt) pyruvic acid conformers are observed on the surface as well as the (hydrogen bonded) pyruvic acid dimer. The detailed surface interactions were further understood through ab initio molecular dynamics simulations. Under higher relative humidity conditions (above 10% RH), adsorbed water competes for surface adsorption sites. Adsorbed water is also observed to change the relative populations …
Inelastic neutron scattering study of proton dynamics in Ca(OH)2 at 20 K
1995
Abstract Inelastic neutron scattering (INS) spectra of Ca(OH) 2 at 20 K are presented from 30 to 4000 cm −1 for a powder sample, from 30 to 12000 cm −1 for an oriented single-crystal. INS band splitting due to the lattice density-of-states is observed. Polarization effects reveal the orientation of atomic displacements for each mode and a new band assignment scheme is proposed. For the single-crystal, the v OH mode and overtones are observed. This oscillator shows only moderate anharmonicity. Spectrum simulation reveals that INS spectral intensities are not consistent with simple normal coordinates and harmonic force-fields for Ca(OH) 2 entities. A new dynamical model is proposed, including…
Matrix isolation and quantum chemical studies on the H2O2–SO2complex
2004
Complexation and photochemical reactions of hydrogen peroxide and sulfur dioxide have been studied in solid Ar, Kr and Xe. Complexes between H2O2 and SO2 are characterized using Fourier transform infrared spectroscopy and ab initio calculations. In solid Ar, the H2O2–SO2 complex absorptions are found at wavenumbers of 3572.8, 3518.7, 3511.2, 3504.3, 1340.3, 1280.2 and 1149.9 cm−1. In Kr and Xe matrices, the bonded OH stretching frequencies deviate from the values in Ar, and we propose that the matrix surrounding influences the structure of the H2O2–SO2 complex. UV photolysis of the H2O2–SO2 was also studied in solid Ar, Kr and Xe. This photolysis produces mainly a complex between sulfur tri…
Infrared Spectroscopy of Disilicon-Carbide, Si2C: The ν3 Fundamental Band
2019
The ν3 antisymmetric stretching mode of disilicon-carbide, Si2C, was studied using a narrow line width infrared quantum cascade laser spectrometer operating at 8.3 μm. The Si2C molecules were produ...
Novel Stannatrane N(CH2CMe2O)2(CMe2CH2O)SnO-t-Bu and Related Oligonuclear Tin(IV) Oxoclusters. Two Isomers in One Crystal
2016
The syntheses of the alkanolamine N(CH2CMe2OH)2(CMe2CH2OH) (1), of the stannatrane N(CH2CMe2O)2(CMe2CH2O)SnO-t-Bu (2), and of the trinuclear tin oxocluster 3 consisting of the two isomers [(μ3-O)(O-t-Bu){Sn(OCH2CMe2)(OCMe2CH2)2N}3] (3a) and [(μ3-O)(μ3-O-t-Bu){Sn(OCH2CMe2)(OCMe2CH2)2N}3] (3b) as well as the isolation of a few crystals of the hexanuclear tin oxocluster [LSnOSn(OH)3LSnOH]2 [L = N(CH2CMe2O)2(CMe2CH2O)] (4) are reported. The compounds were characterized by 1H, 13C, 15N, and 119Sn (1–3) nuclear magnetic resonance and infrared spectroscopy, electrospray ionization mass spectrometry, and single-crystal X-ray diffraction analysis (1–4). A graph set analysis was performed for compoun…
Preparative and Electrochemical Investigations on the Electron Sponge Behavior of Cobalt Telluride Clusters: CO Substitution in[Co11Te7(CO)10]n− Ions…
2003
The reaction of the cluster salts [Cp* 2 Nb(CO) 2 ] n [Co 1 1 Te 7 (CO) 1 0 ] (Cp* = C 5 Me 5 ; n = 1, 2) with excess PMe 2 Ph gave the neutral, dark brown clusters [Co 1 1 Te 7 (CO) 6 (PMe 2 Ph) 4 ] (5) and [Co 1 1 Te 7 (CO) 5 (PMe 2 Ph) 5 ] (6) with 147 metal valence electrons. The new compounds were characterized by IR spectroscopy, elemental analyses, and mass spectrometry. The molecular structure of 6 was determined by X+ray crystallography. Like its precursor anion, it consists of a pentagonal-prismatic [Co 1 1 Te 7 ] core, but with a ligand sphere composed of five CO and five PMe 2 Ph ligands. Detailed electrochemical studies of both reactions reveal that a stepwise substitution of C…
Thermo-Chromium: A Contactless Optical Molecular Thermometer.
2017
The unparalleled excited-state potential-energy landscape of the chromium(III)-based dye [1]3+ ([Cr(ddpd)2 ]3+ ; ddpd=N,N'-dimethyl-N,N'-dipyridin-2-yl-pyridin-2,6-diamine) enables a strong dual emission in the near infrared region. The temperature dependence of this dual emission allows the use of [1]3+ as an unprecedented molecular ratiometric thermometer in the 210-373 K temperature range in organic and in aqueous media. Incorporation of [1]3+ in biocompatible nanocarriers, such as 100 nm-sized polystyrene nanoparticles and solutol micelles, provides nanodimensional thermometers operating under physiological conditions.
A Strongly Luminescent Chromium(III) Complex Acid
2018
The synthesis, structure, reactivity, and photophysical properties of a novel acidic, luminescent chromium(III) complex [Cr(H2 tpda)2 ]3+ (23+ ) bearing the tridentate H2 tpda (2,6-bis(2-pyridylamino)pyridine) ligand are presented. Excitation of 23+ at 442 nm results in strong, long-lived NIR luminescence at 782 nm in water and in acetonitrile. X-ray diffraction analysis and IR spectroscopy reveal hydrogen-bonding interactions of the counter ions to the NH groups of 23+ in the solid state. Deprotonation of the NH groups of 23+ by using a non-nucleophilic Schwesinger base in CH3 CN switches off the luminescence. Re-protonation by using HClO4 restores the emission. In water, the pKa value of …