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High-resolution stimulated Raman spectroscopy and analysis of line positions and assignments for the ¿2 and ¿3 bands of13C2H4

AutorAlkadrou, A.; Rotger, M.; Bermejo, Dionisio ; Doménech, José Luis ; Boudon, V.
Fecha de publicación30-ago-2016
Citación24th International Conference on High Resolution Molecular Spectroscopy (2016)
ResumenHigh resolution stimulated Raman spectra of 13C2H4 in the regions of the V2 and V3 Raman active modes have been recorded at two temperatures (145 and 296 K) based on the q uasi continuous-wave (cw) stimulated Raman spectrometer at Instituto de Estructura de la Materia (CSIC) in Madrid. A tensorial formalism adapted to X2Y4 planar asymmetric tops with D2h symmetry has been developed in Dijon1 and a program suite called D2hTDS (now part of the XTDS/SPVIEW spectroscopic software) 2 was proposed to calculate their high-resolution spectra. The effective Hamiltonian operator,involving a polyad structure, and transition moment (dipole moment and polarizability) operators can be systematically expanded to carry out global analyses of many rovibrational bands. A total of 103 and 51 lines corresponding to V2 and V3 Raman active modes have been assigned and fitted in frequency with a global root mean square deviation of 0.54 x 10-3 cm-1 and 0.36 x 10-3 cm-1, respectively. The figures below shows the stimulated Raman spectrum ofthe V2 and V3 bands of 13C2H4, compared to the simulation at 296 K.
Descripción24th International Conference on High Resolution Molecular Spectroscopy; Praga, August 30-September 3, 2016; http://www.chem.uni-wuppertal.de/conference/index.shtml#pliva
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