Search results for "Spectroscopie"
showing 10 items of 60 documents
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…
ROVIBRATIONAL AND STARK SPECTROSCOPY OF THE X2Y4MOLECULES. APPLICATION TO ETHYLENE
2005
This thesis is devoted to the spectroscopy of ethylene in the aim of studying the molecule trapped in zeolites. The first part deals with the tensorial model adapted to the symmetry of the isolated molecule: formalism, Hamiltonian and transition moments. To take the strong electric fields existing into zeolites into account, an extension of the model to the Stark effect is proposed in the second part. The third part describes the programs of the D2hTDS software which have been built for the calculation and analysis of X2Y4-type molecule spectra. The fourth part presents applications to the calculation and analysis of zero-field and Stark ethylene spectra. In particular, the model has been t…
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).
Algebraic study of pyramidal molecules in the very excited vibrational states.
2005
In the frame of the algebraic formalism U(p+1), we developed the method to build a vibrational Hamiltonian corresponding to a set of three identical oscillators. In order to test the model, we apply it to the molecules of stibine and arsine. We introduce a supplementary intermediate group K(3) inspired by the similar formalism used in nuclear physics. This group K(3) gives additional labels for classification of the energy levels. The eigenvalues of these invariant operators distinguish the local states of the molecule. Then we study the coupling of the vibrational modes of stretching and bending for the non plane XY3 molecules. We present the construction of an algebraic operator of coupli…
Classification of spectra and search for biomarkers in prostate tumours from proton nuclear magnetic resonance spectroscopy
2010
Prostate cancer is the most common cancer in men over 50 years. Current detection methods either lack sensitivity or specificity or are unpleasant for the patient. Magnetic resonance spectroscopy allows the study of metabolism in vivo. The use of a high field machine (≥3T) has allowed us to dispense with the use of an endorectal coil, which is particularly uncomfortable for the patient. The objective of this thesis is to create an automatic method to detect cancer by processing data obtained through magnetic resonance spectroscopy MRS is a complex phenomenon, very sensitive to acquisition conditions. Firstly, we have studied how to improve and optimise signal acquisition. However, even with…
Cavités plasmoniques et nanosources optiques
2013
Optical microcavities exhibit high resonance quality, so that, they are of key interest for the design of low-threshold lasers or for achieving strong coupling regime. But, such systems support modes whose the volume remain diffraction limited.In this manuscript, we are interested in their plasmonic counterparts because they support confined modes at the sub-wavelength scale. First, we study an in-plane plasmonic cavity which is the transposition of 1D optical cavity to surface wave. We characterize the cavity by measuring the fluorescence lifetime of dye molecules deposited inside.Then, we are interested in 3-dimension mode confinement achieved by spherical metal nanoparticles. We discuss …
Study of the dynamics of biomolecules by high speed atomic force microscopy and surface enhanced Raman spectroscopy
2015
This thesis focuses on the coupling of High–Speed Atomic Force Microscopy (HS-AFM) and Surface Enhanced Raman Spectroscopy (SERS) for biomolecule analysis. We have designed a fabrication protocol to manufacture “SERS-active” substrates. The efficacy of gold, silver and gold-silver bimetallic crystalline nanoparticle substrates were evaluated. We have investigated the impact of optical and morphological features of the substrates on Raman signal intensity by analyzing well-known samples such as bipyridine ethylene and methylene blue molecules. We took an interest in three distinct biological problematics with HS-AFM and SERS analyses. First, we have detected the chemical signature of cytochr…
Etude des propriétés de coordination de nouveaux ligands macrocycliques vis-à-vis de cations métalliques en vue de l'utilisation de leurs complexes p…
2011
Noninvasive medical imaging techniques such as single-photon emission computed tomography (SPECT) or positron emission tomography (PET), are valuable tools for the development and validation of new therapeutic molecules. That approach requires the conjugation of a radioactive source emitting either y-rays or positrons with a biological tracer (e.g. DOTATOC). Among the potentially useful radionuclides available, 111In3+ (SPECT), 64Cu2+, and 68Ga3+ (PET) have attracted increasing attention over the last years for medical applications. To minimize the in vivo release of the radioactive cation by transmetalation or transchelation with biological ligands, it is essential to trap selectively the …