species have been obtained from time-of-flight measurements. The previous results of LIBS in different samples(He, Ge, GeH4 and CO2) have been reviewed for the publication of a book chapter.The <strong>la</strong>ser ab<strong>la</strong>tion of Ti and TiO has been studied. Ab<strong>la</strong>tion was ma<strong>de</strong> in vacuum and in different benzene andhexane atmospheres. The preliminary results show a phase change anatase-rutile in the TiO 2 ab<strong>la</strong>ted surface target.For Ti and TiO a <strong>de</strong>pen<strong>de</strong>nce of the characteristics of the obtained <strong>de</strong>posits on the gas pressure is shown. Thespectroscopy of the ab<strong>la</strong>tion p<strong>la</strong>smas is not affected by this parameter. These works have been done in col<strong>la</strong>borationwith Profs. J.J. Camacho and J.M. Poyato (Phisical-Chemistry Department of UAM) and the participation (Ti andTiO) of Věra Jandová (Institute Chemical Processes Fundamentals of Czech Republic).2B.3 MOLECULAR PHYSICSDEPARTMENTRESEARCH LINES:‣ Molecu<strong>la</strong>r physics of atmospheres, astrophysical systems, and p<strong>la</strong>smas.‣ Molecu<strong>la</strong>r Fluid Dynamics.‣ Laser Spectroscopy.‣ Theoretical Molecu<strong>la</strong>r Physics.RESEARCH SUBLINES:Molecu<strong>la</strong>r physics of atmospheric and astrophysical systems.Kinetics of cold p<strong>la</strong>smas and studies on p<strong>la</strong>sma-surface interactions.Dynamics and kinetics of chemical reactions.Raman Spectroscopy in supersonic gas jets.Rotational energy transfer coefficients by molecu<strong>la</strong>r collisions.Molecu<strong>la</strong>r solidification in cryogenic liquid micro-jets.Spectroscopic parameters of molecules of atmospheric relevance.Molecu<strong>la</strong>r quantum control.Molecu<strong>la</strong>r alignment and orientation.Ultracold quantum gases.EMPLOYED TECHNIQUES:ooooooooooooooIR spectroscopy and mass spectrometry applied to low temperature, low pressure systems.Computacional methods: Gaussian, SIESTA, CASTEP.Cold p<strong>la</strong>sma generation in low pressure gas discharges.Mass spectrometry of ions and neutrals with energy resolution.Visible emission spectroscopy of p<strong>la</strong>smas.Langmuir probes for electron energy and charge <strong>de</strong>nsity measurements.Linear Raman Spectroscopy.Supersonic gas jets.Un<strong>de</strong>rcooled liquid micro-jets.Cryogenics.Stimu<strong>la</strong>ted Raman Spectroscopy.Raman-Raman Double ResonanceSpectroscopy.Frequency-Difference Infrared Spectroscopy.Computational methods.RESEARCH ACTIVITY:MOLECULAR PHYSICS OF ATMOSPHERES AND PLASMASThis line of research is divi<strong>de</strong>d in the three sub-lines indicated in more <strong>de</strong>tail below.Molecu<strong>la</strong>r physics of atmospheric and astrophysical systemsAround 2006 we initiated the study of solid systems, analogues of astrophysical objects. Since then, we haveprepared ice mixtures of water and several molecu<strong>la</strong>r systems (CO 2 , CH 4 , CH 3 OH, NH 4 + , COOH - ), which are someof the main constituents of comet nuclei and interstel<strong>la</strong>r media particles, and studied them using infrared66
spectroscopy and mass spectrometry. By means of a recently acquired cryostat we can extend our experimentalrange down to 6 K covering a temperature interval very interesting in astrophysics. In the following paragraphs we<strong>de</strong>scribe in more <strong>de</strong>tail the main contributions achieved during the <strong>la</strong>st year.We have initiated a line of research with some astrobiological propensity. The molecule of glycine has been <strong>de</strong>tectedon cometary grains, and a comprehensive spectroscopic investigation of this species in different environments andphysical conditions was not yet avai<strong>la</strong>ble. We therefore performed a spectroscopic study of glycine in its neutral andionic structures, iso<strong>la</strong>ted and in po<strong>la</strong>r and non-po<strong>la</strong>r environments, and followed changes in its structure for a rangeof temperatures between 25 and 200 K. To sublimate solids with low vapour pressure, like the aminoacid glicine, wehave <strong>de</strong>signed and built a mini-oven that allows vo<strong>la</strong>tilizing the sample un<strong>de</strong>r vacuum and <strong>de</strong>positing its vapor on acold substrate. We have also improved the experiment adding a system to rotate the substrate un<strong>de</strong>r vacuum. Wewill continue this line, applied to other biological species.Concerning astrophysically relevant molecules, carbonic acid has been c<strong>la</strong>imed to exist in different environments, asfor example in Mars atmosphere or forming part of cometary comae. For the first time, we have observed thismolecule in gas phase in the <strong>la</strong>boratory. This experimental and theoretical study has been done in col<strong>la</strong>boration withDr. Grothe’s and Dr. Lortieng’s groups from Vienna and Innsbruck Universities respectively. This investigation hasreceived a notorious international repercussion being even announced in the web page of CSIC.Other problem treated in this astrophysical line has <strong>de</strong>alt with the <strong>de</strong>tection of <strong>de</strong>uterated water and the D/H isotopicexchange in amorphous and crystalline ice below 150 K. The molecu<strong>la</strong>r isotopic distributions hold valuable clues forun<strong>de</strong>rstanding the properties and evolution of astronomical environments. In our investigation, we conclu<strong>de</strong> that<strong>de</strong>tectable HDO/H2O ratios may range from a few percent for amorphous samples to a few per thousand incrystalline ice, using the OD stretching band as probe. These re<strong>la</strong>tive high lower limits of <strong>de</strong>tection and theappreciable <strong>de</strong>pen<strong>de</strong>nce of the band shape on temperature will complicate the interpretation of data from many linesof sight. We have also investigated the structure and spectroscopic properties of the formate ion, HCOO - , a speciesof astrophysical relevance. The formate ion is characterized by its p<strong>la</strong>sticity, adopting several different structures.We have studied the ion in crystals of sodium formate and ammonium formate, and as an iso<strong>la</strong>ted species. Thetheoretical calcu<strong>la</strong>tions were contrasted by comparison to observed infrared spectra recor<strong>de</strong>d using differenttechniques.In the atmospheric line of research, we have carried out, in col<strong>la</strong>boration with colleagues of the ComplutenseUniversity and the University of Isparta (Turkey), a theoretical investigation on mixtures of hydrogen chlori<strong>de</strong>, nitricacid and a number of water molecules, from 1 to 6. We have predicted their infrared spectra and studied especiallytheir proton transfer and hydrogen bond characteristics. We have <strong>de</strong>vised a method to c<strong>la</strong>ssify these clusters in termsof their hydrogen bond strength and <strong>de</strong>gree of ionization. In col<strong>la</strong>boration with colleagues from Vienna and the UK,we have collected a set of results of the application of different spectroscopic techniques to nitric acid monohydrate,a molecule re<strong>la</strong>ted to atmospherically relevant species.In addition to this line, we have performed a theoretical study on the molecu<strong>la</strong>r properties of intra-molecu<strong>la</strong>rhydrogen bonds, and halogen bondings in the iodo-tyrosine molecule. This investigation was carried out incol<strong>la</strong>boration with Drs. Gómez and Pacios, from UCM and UPM respectively.We also continue with the set-up of a new flow chamber <strong>de</strong>dicated to the production and study of atmosphericaerosols. The chamber is nearly ready and the first results are expected during 2012.The main results of this line are reflected in the corresponding publications as indicated <strong>la</strong>ter on in this Memory.Kinetics of cold p<strong>la</strong>smas and studies on p<strong>la</strong>sma-surfaces interactionsThe effect of comparatively small pressure changes ( 0.5 - 3 Pa), on the characteristics of low pressure hollowcatho<strong>de</strong> dc discharges of H 2 , Ar/H 2 mixtures and air has been investigated with a combination of experimentaltechniques and kinetic mo<strong>de</strong>ls. In all cases, sud<strong>de</strong>n characteristic changes were observed, which have been mostuseful in the i<strong>de</strong>ntification of key physicochemical processes in these p<strong>la</strong>smas.Isotope exchange in low pressure cold p<strong>la</strong>smas of H 2 /D 2 mixtures has been studied by mass spectrometry of neutralsand ions, and kinetic mo<strong>de</strong>ling. These p<strong>la</strong>smas are of interest in fusion <strong>de</strong>vices and in interstel<strong>la</strong>r chemistry, as wel<strong>la</strong>s in technological processes involving the <strong>de</strong>position of hydrogen containing films. The measurements, whichinclu<strong>de</strong> also electron temperatures and <strong>de</strong>nsities, have been performed in a stainless steel hollow catho<strong>de</strong> dischargereactor at different pressures and re<strong>la</strong>tive compositions. The data have been analyzed with a mo<strong>de</strong>l <strong>de</strong>veloped by us,showing good global agreement. The dissociation of the fuel gas molecules is followed by wall recycling, whichregenerates H 2 and D 2 , and produces HD. Atomic recombination at the wall is found to proceed through an Eley–67
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INTRODUCCIÓNEl Instituto de Estruc
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Dra. Maria Esperanza Cagiao Escohot
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TALLER ÓPTICOD. José Lasvignes Pa
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2A.1 DPTO. DEQUÍMICA YFÍSICA TEÓ
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Óscar Gálvezo Hielos y Plasmas de
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Olof Tengblad- Deputy Technical Man
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5.5 ACTIVIDADES Y MATERIAL DE DIVUL
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6.1 PUBLICACIONES EN REVISTAS Y PRO
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Prescriptions in Loop Quantum Cosmo
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Richardson-Gaudin Models: The Hyper
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79. L. Guerrini, S. Sanchez-Cortes,
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Probing the Nature of Particle-Core
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Physical Review Letters 106, 245301
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Conducting Nanocomposites Based on
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3. O. S. Kirsebom, S. Hyldegaard, M
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CAPÍTULO 7TABLAS Y DATOSCHAPTER 7T
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Spectrochimica Acta B 2 3.552Chemph
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