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showing 10 items of 6843 documents
The vibrational levels of methane obtained from analyses of high-resolution spectra
2006
International audience; Methane and its tetrahedral isotopologues are spherical-top molecules whose high-resolution rovibrational spectra can only be analyzed in detail, thanks to sophisticated symmetry-adapted tensorial models. However, the effective Hamiltonian parameters of such models do not give direct access to the positions of the vibrational sublevels. In this paper, we present a calculation of the vibrational level positions for 12CH4, 13CH4, 12CD4 and 13CD4 performed using the effective Hamiltonian parameters obtained through recent analyses. We also include the results of a re-analysis of the octad system of 12CH4 performed with a higher order of the development which slightly im…
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…
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.
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, …
Conformational Properties of Nickel(II) Octaethylporphyrin in Solution. 2. A Low-Temperature Optical Absorption Spectroscopy Study
1996
We have measured the absorption spectrum of Ni(II) octaethylporphyrin in CH2Cl2 and in a 50% v/v isopentane/ethyl ether mixture as a function of temperature between 150 and 300 K and 40 and 300 K, respectively. The Soret band can be decomposed into two subbands whose frequencies differ by 220 cm-1. By analogy with resonance Raman results (Jentzen et al. J. Phys. Chem. 1996, 100, 14184−14191 (preceding paper)), we attribute the low-frequency subband to a conformer with a nonplanar macrocycle structure, whereas the high-frequency subband is interpreted as resulting from a planar conformer. The subbands' intensity ratios exhibit a solvent-dependent van't Hoff behavior between 300 and 160 K. Cr…
Optical properties of natural topaz
2013
The results of investigation of infrared, Raman and UV-Visible absorption spectra of natural topaz crystals from Ukraine before and after fast neutron irradiation are presented. We assume that the ~ 620 nm band in topaz crystals is associated with the presence of Cr 3+ , Fe 2+ and Mn 2+ impurities. The broad band with maxima at 650 cm -1 observed in Raman spectra for topaz irradiated by fast neutrons may be connected with lattice disorder. Exchange interaction between radiation defect and impurity ions during neutron irradiation leads to appearance of additional absorption band in UV-VIS spectra and bands broadening in infrared and Raman spectra of investigated crystals.
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…
Molecular mechanisms of endomembrane trafficking in plants
2021
Abstract Endomembrane trafficking is essential for all eukaryotic cells. The best-characterized membrane trafficking organelles include the endoplasmic reticulum (ER), Golgi apparatus, early and recycling endosomes, multivesicular body, or late endosome, lysosome/vacuole, and plasma membrane. Although historically plants have given rise to cell biology, our understanding of membrane trafficking has mainly been shaped by the much more studied mammalian and yeast models. Whereas organelles and major protein families that regulate endomembrane trafficking are largely conserved across all eukaryotes, exciting variations are emerging from advances in plant cell biology research. In this review, …
Accommodative Stimulus-Response Curve with Emoji Symbols
2017
Purpose. To evaluate the static measurement of the accommodative stimulus-response curve with emoji symbols. Methods. The accommodative stimulus-response curve was measured in 18 subjects using a Hartmann-Shack sensor to obtain the objective accommodative response from the Zernike defocus term. Measurements were acquired at different accommodative demands, from 0 to 3 D with a step of 0.5 D. Detailed and nondetailed emoji targets were used with two different sizes, corresponding to the two most common visual angles used in smartphones. Results. A regression analysis was performed to fit the mean results obtained for each target. The determination coefficient was R2≥0.988 for all targets. Fo…
Broad-band spectral analysis of the accreting millisecond X-ray pulsar SAX J1748.9-2021
2016
We analyzed a 115 ks XMM-Newton observation and the stacking of 8 days of INTEGRAL observations, taken during the raise of the 2015 outburst of the accreting millisecond X-ray pulsar SAX J1748.9-2021. The source showed numerous type-I burst episodes during the XMM-Newton observation, and for this reason we studied separately the persistent and burst epochs. We described the persistent emission with a combination of two soft thermal components, a cold thermal Comptonization component (~2 keV) and an additional hard X-ray emission described by a power-law (photon index ~2.3). The continuum components can be associated with an accretion disc, the neutron star (NS) surface and a thermal Compton…