Search results for "FREQUENCIES"
showing 3 items of 33 documents
High-resolution infrared spectroscopy and analysis of the v2=v4 bending dyad and v3 stretching fundamental of ruthenium tetroxide
2017
International audience; RuO4 is a heavy tetrahedral molecule which has practical uses for several industrial fields. Due to its chemicaltoxicity and the radiological impact of its 103 and 106 isotopologues, the possible remote sensing of this compound in theatmosphere has renewed interest in its spectroscopic properties. We investigate here for the first time at high resolutionthe bending dyad region in the far IR and the line intensities in the 3 stretching region. Firstly, new high resolutionFTIR spectra of the bending modes region in the far infrared have been recorded at room temperature, using a speciallyconstructed cell and an isotopically pure sample of 102RuO4. New assignments and e…
Conformational investigation of α,β‐dehydropeptides. XV: N‐acetyl‐α,β‐dehydroamino acid N ′N ′‐dimethylamides: conformational properties from infrare…
2005
The FTIR spectra were analysed in the region of the nu(s)(N-H), AI(C=O) and nu(s)(Calpha=Cbeta) bands for a series of Ac-DeltaXaa-NMe2, where DeltaXaa = DeltaAla, (Z)-DeltaAbu, (Z)-DeltaLeu, (Z)-DeltaPhe and DeltaVal, to determine a predominant solution conformation of these alpha,beta-dehydropeptide-related molecules. Measurements were taken in CCl4, DCM and MeCN solutions. In the same way, spectra of saturated analogues Ac-Xaa-NMe2, where Xaa = Ala, Abu, Leu, Phe and Val, were investigated. To help interpret the spectroscopic results, conformational maps were calculated by the B3LYP/6-31+G** method. Also, the relative energies of all conformers of the dehydro compounds in vacuo as well as…