High-resolution stimulated Raman spectroscopy and analysis of v2 and v3 bands of 13C2H4 using the D2h top data system

HRMS 2015, Dijon, France, August 24-28, 2015Peer Reviewe

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

International Symposium on Molecular Spectroscopy, 71rd meeting; Champaign-Urbana, Illinois (USA); June 20 - 24, 2016; http://isms.illinois.edu/2016/schedule/2016_Abstract_Book.pdfHigh 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

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

24th International Conference on High Resolution Molecular Spectroscopy; Praga, August 30-September 3, 2016; http://www.chem.uni-wuppertal.de/conference/index.shtml#plivaHigh 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

Global frequency and intensity analysis of the ν10/ν7/ν4/ν12 band system of 12C2H4 at 10 μm using the D2h Top Data System

A global frequency and intensity analysis of the infrared tetrad of 12C2H4 located in the 600-1500cm-1 region was carried out using the tensorial formalism developed in Dijon for X2Y4 asymmetric-top molecules. It relied on spectroscopic information available in the literature and retrieved from high-resolution Fourier transform infrared spectra recorded in Brussels in the frame of either the present or previous work. In particular, 645 and 131 line intensities have been respectively measured for the weak ν10 and ν4 bands. Including the Coriolis interactions affecting the upper vibrational levels 101, 71, 41 and 121, a total of 10 757 line positions and 1645 line intensities have been assigned and fitted with global root mean square deviations of 2.6×10-4cm-1 and 2.5%, respectively. Relying on the results of the present work and available in the literature, a list of parameters for 65 776 lines in the ν10, ν7, ν4 and ν12 bands of 12C2H4 was generated. To the best of our knowledge, this is the first time that a global intensity analysis is carried out in this range of the ethylene spectrum.SCOPUS: ar.jinfo:eu-repo/semantics/publishe

Corrigendum to “Global frequency and intensity analysis of the ν10/ν7/ν4/ν12 band system of 12C2H4 at 10 μm using the D2h top data system” [Journal of Quantitative Spectroscopy and Radiative Transfer 182 (2016) 158-171]

This corrigendum provides a new version of one of the 3 supplementary data files associated with the article A. Alkadrou et al. J. Quant. Spectrosc. Radiat. Transf. 182 (2016) 158–171, namely the HITRAN-formatted linelist generated as described in section 5 of the article. Indeed, the Ka and Kc labels of the upper levels of a number of transitions belonging to the ν10, ν7 and ν4 bands listed in this supplementary data file were found to be incorrect. The linelist provided with this corrigendum corrects these erroneous assignments, and provides Ka and Kc labels for all the upper levels.SCOPUS: er.jinfo:eu-repo/semantics/publishe