0000000000934007

AUTHOR

Martin Quack

showing 16 related works from this author

Twentieth colloquium on high resolution molecular spectroscopy - Dijon, 3 to 7 September 2007 - Foreword

2008

International audience

Materials science010304 chemical physicsBiophysicsAnalytical chemistryHigh resolutionMolecular spectroscopy010402 general chemistryCondensed Matter Physics01 natural sciences0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry0103 physical sciences[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistryPhysical and Theoretical ChemistryMolecular BiologyComputingMilieux_MISCELLANEOUS
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Analysis of the rovibrational spectrum of 13CH4 in the Octad range

2013

Abstract We have measured the infrared spectrum of methane 13 CH 4 from 1100 cm −1 (33 THz), below the fundamental range, to about 12 000 cm −1 (360 THz) in the high overtone region at temperatures ranging from 80 K to 300 K by high resolution Fourier transform infrared (FTIR) spectroscopy. With instrumental bandwidths between 0.0027 cm −1 (80 MHz) and 0.01 cm −1 (300 MHz) this provides close to Doppler-limited spectra, using the Zurich prototype spectrometer (ZP2001, Bruker 125HR) combined with a multipath collisional cooling cell. Using perturbation theory and an accurate empirically adjusted potential we have computed ro-vibrational energy levels of 13 CH 4 and 12 CH 4 in the same energy…

Physics010304 chemical physicsSpectrometerInfraredOvertone02 engineering and technologyRotational–vibrational spectroscopy021001 nanoscience & nanotechnology7. Clean energy01 natural sciencesAtomic and Molecular Physics and OpticsSpectral lineComputational physicsRoot mean squaresymbols.namesakeNuclear magnetic resonanceFourier transform0103 physical sciencessymbolsPhysical and Theoretical Chemistry0210 nano-technologySpectroscopySpectroscopyJournal of Molecular Spectroscopy
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Roadmap on STIRAP applications

2019

STIRAP (stimulated Raman adiabatic passage) is a powerful laser-based method, usually involving two photons, for efficient and selective transfer of populations between quantum states. A particularly interesting feature is the fact that the coupling between the initial and the final quantum states is via an intermediate state, even though the lifetime of the latter can be much shorter than the interaction time with the laser radiation. Nevertheless, spontaneous emission from the intermediate state is prevented by quantum interference. Maintaining the coherence between the initial and final state throughout the transfer process is crucial. STIRAP was initially developed with applications in …

PhotonAtomic Physics (physics.atom-ph)Digital storageStimulated Raman adiabatic passage02 engineering and technologyStimulated Raman adiabatic passage (STIRAP)01 natural scienceslaw.inventionPhysics - Atomic PhysicsFTIR SPECTROSCOPYstimulated Raman adiabatic passage (STIRAP)lawStereochemistryRare earthsStatistical physicsMetal ionsmolecular Rydberg statesQCparity violationPhysicseducation.field_of_studyQuantum PhysicsElectric dipole momentsCoherent population transfer021001 nanoscience & nanotechnologyCondensed Matter Physicsacoustic waves; molecular Rydberg states; nuclear coherent population transfer; parity violation; spin waves; stimulated Raman adiabatic passage (STIRAP); ultracold moleculesADIABATIC PASSAGEAtomic and Molecular Physics and OpticsChemical DynamicsMolecular beamsVIOLATING ENERGY DIFFERENCEResearch group A. Pálffy – Division C. H. KeitelStimulated emission0210 nano-technologyCoherence (physics)Experimental parametersPopulationFOS: Physical sciencesacoustic waves530spin wavesMolecular Rydberg statesELECTROMAGNETICALLY INDUCED TRANSPARENCYSINGLE PHOTONSQuantum statePhysics - Chemical Physics0103 physical sciencesUltracold moleculesSpontaneous emissionddc:530Nuclear coherent population transfer010306 general physicseducationStimulated Raman adiabatic passageChemical Physics (physics.chem-ph)Rare-earth-ion doped crystalsPhotonsQuantum opticsnuclear coherent population transferBROAD-BANDControlled manipulationsPOLAR-MOLECULESMoleculesRydberg statesLaserSuperconducting quantum circuitAcoustic wavesParity violationstimulated Raman adiabatic passage (STIRAP); ultracold molecules; parity violation; spin waves; acoustic waves; molecular Rydberg states; nuclear coherent population transferDewey Decimal Classification::500 | Naturwissenschaften::530 | Physikultracold moleculesQuantum Physics (quant-ph)QUANTUM GASSpin waves
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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.

PhysicsBiophysicsAstronomyHigh resolutionPhysical and Theoretical ChemistryMolecular spectroscopyCondensed Matter PhysicsMolecular BiologyMolecular Physics
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High-resolution spectroscopy of the ν3 band of WF6 and ReF6 in a supersonic jet

2002

We have recorded the Fourier-transform infrared (FTIR) spectrum of the ν3 fundamental band of WF6 in a continuous supersonic jet expansion with an instrumental bandwidth of 0.0024 cm−1 (FWHM, full width at half maximum, unapodized), using a Bomem DA.002 spectrometer. Some parts of this band have also been recorded with 0.0007 cm−1 bandwidth using a diode laser spectrometer combined with a pulsed slit jet expansion. A multiple-pass arrangement has been used for the slit jet to observe low-intensity lines. In each case, we have used a WF6:He mixture with a seeding ratio 1:3 leading to a rotational temperature of ca. 50 K. This work extends the previous investigation of Takami and Kuze [J. Che…

SpectrometerChemistryInfraredbusiness.industryGeneral Physics and AstronomyInfrared spectroscopyRotational temperatureLaserSpectral linelaw.inventionFull width at half maximumOpticslawPhysical and Theoretical ChemistryAtomic physicsbusinessSpectroscopyThe Journal of Chemical Physics
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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…

Physicshigh resolution molecular spectroscopyBiophysicsAstronomyHigh resolutionINFRARED-SPECTRUMPhysical and Theoretical ChemistryMolecular spectroscopyCondensed Matter PhysicsMolecular BiologyMolecular Physics
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Methane line parameters in the HITRAN2012 database

2013

International audience; The compilation of methane molecular line parameters was updated to include new global analyses and measurements for 12CH4, 13CH4 and 12CH3D. Over 70% of the methane parameters in HITRAN2008 were replaced; existing parameters retained were the microwave lines and the Dyad of 13CH4 near 7 μm and ν6 of 13CH3D near 8.7 μm, 12CH3D (7-4076 cm-1), hot bands of 12CH4 (1887-3370 cm-1) and normal sample CH4 (4800-5550 cm-1 and 8000-9200 cm-1). With a minimum intensity at 296 K in units of cm-1/(molecule cm-2) set to 10-37 for the far-IR and 10-29 for the mid- and near-IR, the methane database increased from 290,091 lines in HITRAN2008 to 468,013 lines, and three-fourths of th…

Materials science010504 meteorology & atmospheric sciencesPlanetscomputer.software_genre01 natural sciencesSpectral lineMethaneCavity ring-down spectroscopy010309 opticschemistry.chemical_compoundLine parameters0103 physical sciencesIsotopologueSpectroscopy0105 earth and related environmental sciencesLine (formation)[PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics][ PHYS.PHYS.PHYS-OPTICS ] Physics [physics]/Physics [physics]/Optics [physics.optics]RadiationDatabaseDifferential optical absorption spectroscopyExoplanetsRemote sensingAtomic and Molecular Physics and OpticschemistryHITRAN databaseAtomic physicsGround statecomputerMethaneMicrowaveJournal of Quantitative Spectroscopy and Radiative Transfer
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High resolution spectroscopy and the first global analysis of the Tetradecad region of methane 12CH4.

2013

We present the first detailed analysis of the infrared spectrum of methane (12)CH4 in the so-called Tetradecad region from 2.1 to 1.6 μm (4760-6250 cm(-1)). New experimental high resolution FTIR spectra at 78 K and at room temperature combined with improved theoretical modeling have allowed quantum assignments to be greatly extended in this region. A global fit of all assigned lines of (12)CH4 in the 0-6200 cm(-1) region has been performed. In the end, 3012 line positions and 1387 intensities of 45 individual subbands of the Tetradecad were modeled up to J = 14. The root mean square deviations were 0.023 cm(-1) for line positions and 13.86% for line intensities in the Tetradecad region itse…

Ftir spectraRoot mean squarechemistry.chemical_compoundchemistryInfraredGeneral Physics and AstronomyHigh resolutionPhysical and Theoretical ChemistryAtomic physicsSpectroscopyPolyadMethaneLine (formation)Physical chemistry chemical physics : PCCP
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On the ‘expanded local mode’ approach applied to the methane molecule: isotopic substitutions CH3D ←CH4 and CHD3 ←CH4

2014

Operator perturbation theory and the symmetry properties of the axially symmetric XYZ3 (C3v) type molecules are used for the determination of the spectroscopic parameters in the form of functions of structural parameters and parameters of the intramolecular potential function. Several relations between sets of spectroscopic parameters of these molecules are obtained. The ‘expanded local mode’ model and the general isotopic substitution theory are used to estimate the relations between spectroscopic parameters of CH3D and CHD3, on one hand, and with the Td symmetric isotopic species, CH4, on the other hand. Test calculations with the isotopic relations show that even without including prior …

энергетические уровниChemistryOperator (physics)BiophysicsCondensed Matter PhysicsMolecular physicsSymmetry (physics)3. Good healthAb initio quantum chemistry methodsComputational chemistryIntramolecular forceгамильтонианы эффективныеKinetic isotope effectинфракрасные спектрыMoleculeизотопные эффектыPhysical and Theoretical ChemistryPerturbation theoryAxial symmetryMolecular Biologyметан
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Global analysis of the high resolution infrared spectrum of methane 12CH4 in the region from 0 to 4800 cm-1

2009

International audience; We report the global analysis of methane (12CH4) lines from high resolution rovibrational spectra including accurate line positions and intensities in the region 0–4800 cm−1. This covers four polyads: The Ground State Monad (rotational levels), the Dyad (940–1850 cm−1, 2 vibrational levels, 2 sublevels), the Pentad (2150–3350 cm−1, 5 vibrational levels, 9 sublevels) and the Octad (3550–4800 cm−1, 8 vibrational levels, 24 sublevels) and some of the associated hot bands (Pentad−Dyad and Octad−Dyad). New Fourier transform infrared (FTIR) spectra of the Pentad and Octad regions have been recorded with a very high resolution (better than 0.001 cm−1 instrumental bandwidth,…

line intensitiesInfraredGeneral Physics and Astronomy02 engineering and technology01 natural sciencesSpectral lineRoot mean squaresymbols.namesakehigh resolution infrared spectra0103 physical sciencesPhysical and Theoretical Chemistry[PHYS.PHYS.PHYS-AO-PH]Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]010304 chemical physicsSpectrometerChemistryRotational–vibrational spectroscopy021001 nanoscience & nanotechnologyPotential energyFourier transform[ PHYS.PHYS.PHYS-AO-PH ] Physics [physics]/Physics [physics]/Atmospheric and Oceanic Physics [physics.ao-ph]symbolsrovibrational analysisAtomic physics0210 nano-technologyGround stateMethanevibrational states
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Analyse Globale en Fréquences et en Intensités des Raies de 12CH4 dans la Région 0–4800 cm-1

2006

[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry
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The Pentad and the Octad of 13CH4: Lines in the 2200–4700 cm-1 Region

2008

International audience

[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistryComputingMilieux_MISCELLANEOUS
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Global Analysis of CH4 Lines in the 0–3200 cm-1 Region

2007

International audience

[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistryComputingMilieux_MISCELLANEOUS
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13CH4 in the 2200–4700 cm-1 Region The Pentad and the Octad

2009

[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry
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Global Frequency and Infrared Intensity Analysis of 12CH4 Lines in the 900–4800 cm-1 Region

2006

[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry
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High-Resolution Spectroscopy and Global Analysis of the Tetradecad Region of Methane 12CH4

2011

[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry[CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry
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