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High-resolution stimulated raman spectroscopy and analysis of V2 and V3 bands of of 13C2H4 using the D2H top data system

AutorBoudon, V.; Doménech, José Luis ; Bermejo, Dionisio ; Rotger, M.; Alkadrou, A.
Fecha de publicación20-jun-2016
CitaciónInternational Symposium on Molecular Spectroscopy (2016)
ResumenHigh resolution stimulated Raman spectra of 13C2H4 in the regions of the ν2 and ν3 Raman active modes have been recorded at at two temperatures (145 and 296 K) based on the quasi 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 Dijona and a program suite called D2hT DS (now part of the XTDS/SPVIEW spectroscopic softwareb 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 ν2 and ν3 Raman active modes have been assigned and fitted in frequency with a global root mean square deviation of 0.54 × 10−3 cm−1 and 0.36 × 10−3 cm−1 , respectively. The figures below shows the stimulated Raman spectrum of the ν2 and ν3 bands of 13C2H4, compared to the simulation at 296 K.
DescripciónInternational Symposium on Molecular Spectroscopy, 71rd meeting; Champaign-Urbana, Illinois (USA); June 20 - 24, 2016; http://isms.illinois.edu/2016/schedule/2016_Abstract_Book.pdf
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