Search results for "Vibrational Spectra"
showing 10 items of 31 documents
Symmetrized Local States and Effective Dipole Moment within a Rovibrational Cartesian Picture.
1997
Algebraic Approach to Vibrational Spectra of Stibine Molecule
2002
International audience
U(p+1) : Application aux états moléculaires très excités.
2004
International audience
Algebraic Hamiltonian Adapted to Strech-Bend Coupling in the Stibine Molecule.
2003
On the ”Expanded” Local Mode Approach and Isotopic Effect (CH2D2/CH3D/CHD3) in the Methane Molecule
2010
Earlier derived, [1] - [3], for the XY2 (C2v and XY3 (C3v molecules) ”expanded local mode model” is applied to the methane-type, XH4, molecules. On the base of using os specially obtained value of the ambiguity parameter, sin gamma , simple value of all transformation coefficients, l_{N \alpha \lambda}, were obtained for the CH4 molecule. It gave us possibility, on the one hand, 1). to derive simple relations between different spectroscopic parameters (harmonic frequencies, anharmonic parameters and vibrational tetrahedral coefficients, rotational-vibrational and rotational tetrahedral coefficients) of the CH4 molecule, and, on the other hand, 2). on the base of the genegal isotopic substit…
Vibrational Spectrum of Phosphine Molecule
2004
Vibrational interactions and resonances in XY2 molecules of C2v symmetry. Algebraic application to D2S system.
2008
Experimental and theoretical studies on corals. I. Toward understanding the origin of color in precious red corals from Raman and IR spectroscopies a…
2009
An attempt to explain the origin of the vivid red color in precious pink and red corals was undertaken. Raman and IR spectroscopies were applied to characterize white, pink and red corals. The position of the Raman signal near 1500 cm −1 of some corals and pearls was associated by several authors with the presence of the mixture of all-trans-polyenic pigments, containing 6 – 16 conjugated C C bonds or β-carotenoids. This hypothesis was examined theoretically by performing extensive B3LYP-DFT calculations of vibrational spectra of the model polyenic compounds. The B3LYP/6-311++G ∗∗ predicted positions of the dominating Raman mode depend on the number of C Cu nits (Cn parameter) and can be ac…
The Syntheses and Vibrational Spectra of 16O- and 18O-Enriched cis-MO2 (M=Mo, W) Complexes
2018
In this contribution, we report convenient synthetic approaches for obtaining 16O/18O‐enriched dioxidometalVI complexes, MO2(L) (W, Mo), with a linear, tetradentate amine phenolate ligand N,N′‐dimethyl‐N,N′‐bis(2‐hydroxy‐3,5‐dimethylbenzyl)ethylenediamine (H2L) and describe their characterization by IR and Raman spectroscopy complemented by DFT computational analysis. The isotopologues of WO2(L) were made of tungstenVI trisglycolate W(eg)3 (eg=1,2‐ethanediolate dianion) and ligand H2L in the presence of either H2[16O] or H2[18O], whereas Mo16O2(L) was made using Na2MoO4⋅2H2O which was converted to Mo18O2(L) by oxido substitution using H2[18O]. The complementary IR and Raman analyses show th…