Search results for "molecular spectroscopy"
showing 10 items of 27 documents
Symmetry adaptation of spherical tensor quantities in cubic point groups: comments on a paper by M. Rey et al.
2004
We underline some inconsistencies in the work [J. Mol. Spectrosc. 219 (2003) 313] concerning symmetry adaptation in cubic groups. Also we show that some rather complicated methods presented can be easily avoided.
Eighteenth Colloquium on High Resolution Molecular Spectroscopy
2004
(2004). Eighteenth Colloquium on High Resolution Molecular Spectroscopy. Molecular Physics: Vol. 102, No. 14-15, pp. 1499-1499.
New Accurate Fit of an Extended Set of Saturation Data for the ν3 Band of SF6: Comparison of Hamiltonians in the Spherical and Cubic Tensor Formalisms
2000
An extended set of 321 frequencies of vibration-rotation lines of the nu(3) band of SF(6) has been measured by saturation spectroscopy using various isotopic species of CO(2). A least-squares fit of these data has been performed using an effective Hamiltonian written either with a spherical tensor or with a cubic tensor formalism. We have derived correspondence formulas between the parameters in the two approaches and checked that both formalisms give the same results up to the seventh order. Corrected parameters are given for the fit with a fifth-order Hamiltonian. An accurate representation of the band is obtained at the tenth order (standard deviation approximately 12 kHz) with a remarka…
22nd Colloquium on High Resolution Molecular Spectroscopy: Special Issue dedicated to Gianfranco Di Lonardo
2011
This issue, together with a second issue to appear in early 2012, consists of contributions submitted by participants attending the Colloquium on High Resolution Molecular Spectroscopy (HRMS), held in Dijon, France from 29 August to 2 September 2011. This is the 22nd in a biannual series of international conferences, which in recent years have taken place alternately in Dijon, France (1999, 2003, 2007, 2011) and in another European Country (1997 in Glasgow, Scotland; 2001 in Nijmegen, The Netherlands; 2005 in Salamanca, Spain, 2009 in Castellammare di Stabia, Italy). This series has a longstanding tradition as one of the most important conferences worldwide on all aspects of high resolution…
The HITRAN2016 molecular spectroscopic database
2017
This paper describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 and its updates during the intervening years. The HITRAN molecular absorption compilation is composed of five major components: the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of …
High resolution molecular spectroscopy of the sulfur-containing XY2 type molecules.
2010
In this thesis, we analyzed the high resolution absorption molecular spectra of H2S, D2S, HDS and SO2 registered for the first time or with better experimental characteristics as compared with those registered before. For the first time in the practice of rotation-vibrational spectroscopy in the frame of the devel- oped method of "global ftting" the analysis of 22 bands (as a whole more than 9700 rotation- vibrational lines) of D2S molecule is realized. This method of "global fitting" is developed with regard to molecules of Cs symmetry; on this basis a simultaneous analysis of all the known up to the present rotation-vibrational spectra of HDS molecule is realized. The SPGF method is appli…
Rovibrational spectroscopy of ethylene : Stark effect : Application to ethylene in zeolites
2010
The objective of this report is to present a study as complete as possible of the Stark effect in the asymmetric top molecules of X2Y4 type possessing the D2h symmetry group and to apply it to the problem of the spectroscopy of the ethylene molecule trapped in a zeolite. For the first time, a tensorial formalism adapted to the study of the Stark effect for the O(3) D2h group chain was developed. In parallel, a computer package was worked out as a new generation of software called D2hTDS-ST using a simpler basis, allowing an economy in the calculation time. On the basis of the theoretical and computing tools as well as from the experimental spectra, recorded in the laboratory, we made a firs…
"Expanded" local mode approach and isotopic effect in polyatomic molecules
2014
In this thesis, on the base of the "expanded", local mode approach and general isotopic substitution theory we obtain sets of simple analytical relations between spectroscopic parameters (harmonic frequencies, anharmonic coefficients, ro-vibrational parameters, different kinds of Fermi and Coriolis-type interaction parameters) of the CH2D2, CH3D and CHD3 molecules. All of them are expressed as simple functions of spectroscopic parameters of the mother CH4 molecule. Test calculations with the isotopic relations show that even without including prior informations about the isotopic species, numerical results of calculations are in a good agreement both with experimental data and results of ab…
STUDY OF THE INTERNAL DYNAMICS OF NON PLANAR PYRAMIDAL MOLECULES IN VIBRATIONALY VERY EXCITED STATES.
2007
From the U (p+1) formalism, we built a Hamiltonian adapted to the stretching modes of nonplanar XY3 molecules having the C3v group of geometrical invariance. This Hamiltonian is then coupled with two possible Hamiltonians describing the bending modes of these molecular system: a) based on the U (p+1) approach, a bending Hamiltonian is developed and the interaction between the bending and the stretching modes is taking into account through adapted 2:1 resonance coupling operator defined as a Us(4) x Ub(4) enveloping algebra operator ; b) based on the standard normal modes formalism, a bending modes Hamiltonian is expanded and the 2:1 interaction is taken into account as a tensorial product o…
Habilitation Thesis
2004
This habilitation thesis presents a synthesis of my research activities during the last eight years. I have distinguished, one the one hand, researches concerning rovibrational spectroscopy in a singlet electronic state (Part III) and, on the other hand, those concerning rovibronic spectroscopy in a degenerate electronic state (Part IV).