L. H. Coudert

Centre National de la Recherche Scientifique

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L. Margulès

Laboratoire de Physique des Lasers, Atomes et Molécules

R. A. Motiyenko

Laboratoire de Physique des Lasers, Atomes et Molécules

Jean‐Claude Guillemin

Centre National de la Recherche Scientifique

Olivier Pirali

Institut des Sciences Moléculaires d'Orsay

Marie‐Aline Martin‐Drumel

Institut des Sciences Moléculaires d'Orsay

Jon T. Hougen

National Institute of Standards and Technology

J. Orphal

Karlsruhe Institute of Technology

Bérenger Gans

Institut des Sciences Moléculaires d'Orsay

T. R. Huet

Université de Lille

Jean‐Christophe Loison

Université de Bordeaux

Cooperative Institutions

Centre National de la Recherche Scientifique

245

Université Paris Cité

Université Paris-Saclay

Sorbonne Université

Université Paris-Sud

Laboratoire Interuniversitaire des Systèmes Atmosphériques

Laboratoire Techniques, Territoires et Sociétés

Jet Propulsion Laboratory

Université Paris-Est Créteil

Université Paris Sciences et Lettres

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THEORETICAL APPROACH OF THE ROTATIONAL ENERGY LEVELS OF $SiC_{2}$

L. H. Coudert

$^{1}$ M. Bogey, C. Demuynck, J.-L. Destombes and A. D. Walters, Astron. Astrophys. 247, L13-L16 (1991). $^{2}$ C. A. Gottlieb, J. M. Vrtilek and P. Thaddeus, Astrophysical Journal 343, L29-L32 (1989). $^{3}$ A. J. Sadlej, G. H. F. Diercksen, J. Oddershede, and J. R. Sabin, Chem. Phys. 122, 297-304 (1988).

Astron

Rotational energy

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COMPLEX ORGANIC MOLECULES : FROM LABORATORY STUDIES TO SPACE DETECTION

L. Margulès G. Wlodarczak J. Demaison K. Demyk M. Carvajal

[1] K. Demyk, H. Mader, B. Tercero, J. Cernicharo, J Demaison, L. Margules, M. Wegner, S. Keipert, and M. Sheng, Astron. Astrophys.[2]K. Demyk, M. Carvajal, and G. Wlodarczak, submited to Astron. Astrophys.[3]K. Kobayashi, K. Ogata, S. Tsunekawa, and and S. Takano, ApJ.

Astron

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Interstellar Antifreeze: Ethylene Glycol

The Astrophysical Journal (2002)

J. M. Hollis F. J. Lovas P. R. Jewell L. H. Coudert

Interstellar ethylene glycol (HOCH2CH2OH) has been detected in emission toward the Galactic center source Sagittarius B2(N-LMH) by means of several millimeter-wave rotational torsional transitions of its lowest energy conformer. The types and kinds of molecules found to date in interstellar clouds suggest a chemistry that favors aldehydes and their corresponding reduced alcohols—e.g., formaldehyde (H2CO)/methanol (CH3OH), acetaldehyde (CH3CHO)/ethanol (CH3CH2OH). Similarly, ethylene glycol is the reduced alcohol of glycolaldehyde (CH2OHCHO), which has also been detected toward Sgr B2(N-LMH). While there is no consensus as to how any such large complex molecules are formed in the interstellar clouds, atomic hydrogen (H) and carbon monoxide (CO) could form formaldehyde on grain surfaces, but such surface chemistry beyond that point is uncertain. However, laboratory experiments have shown that the gas-phase reaction of atomic hydrogen (H) and solid-phase CO at 10-20 K can produce formaldehyde and methanol and that alcohols and other complex molecules can be synthesized from cometary ice analogs when subject to ionizing radiation at 15 K. Thus, the presence of aldehyde/reduced alcohol pairs in interstellar clouds implies that such molecules are a product of a low-temperature chemistry on grain surfaces or in grain ice mantles. This work suggests that aldehydes and their corresponding reduced alcohols provide unique observational constraints on the formation of complex interstellar molecules.

Glycolaldehyde

Interstellar ice

10.1086/341148

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Citations (192)

TUNNELING SPLITTING AND HYPERFINE STRUCTURE IN THE $Na_{3}$ CLUSTER

L. H. Coudert Wolfgang Ernst

Author Institution: Laboratoire de Photophysique Mol\'{e}culaire, C.N.R.S., B\^{a}t. 210, Universit\'{e} Paris-Sud.; Department of Physics and Chemistry, The Pennsylvania State University

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A ROVIBRATIONAL ANALYSIS OF THE WATER BENDING VIBRATION IN OC-H2O AND A MORPHED POTENTIAL OF THE COMPLEX

Proceedings of the 74th International Symposium on Molecular Spectroscopy (2015)

Luis A. Rivera‐Rivera L. H. Coudert J. W. Bevan Robert R. Lucchese Igor Leonov

Rovibrational transitions associated with tunneling states in the water bending vibration in OC-H 2 O complex have been recorded using a supersonic jet quantum cascade laser spectrometer at 6.2 µm.Analysis of the resulting spectra is facilitated by incorporating fits of previously recorded microwave and submillimeter data accounting for Coriolis coupling to obtain the levels of the ground vibrational state.The results were then used to confirm assignment of the vibration and explore the nature of tunneling dynamics in associated vibrationally excited states of the complex.A seven-dimension ab initio interaction potential is constructed for the complex.The available spectroscopic data is used to generated a morphed potential.Previous prediction of the D 0 of the complex will be incorporated in the analysis.

Quantum number

10.15278/isms.2015.wj04

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FINE AND HYPERFINE INTERACTIONS, AND PSEUDOROTATIONAL TUNNELING IN $Na_{3}$

L. H. Coudert

$^{m}$D.T. Vituccio, O. Golonzka, and W.E. Ernst, {to be published.} $^{n}$N. Ohashi, M. Tsuuta, and J. T. Hougen, {J. Molec. Spectrosc}. 173, 79--99.

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GLOBAL ANALYSIS OF THE WATER MOLECULE SPECTRUM BEYOND THE SECOND TRIAD

L. H. Coudert

$^{a}$Lanquetin, Coudert, and Camy-Peyret, J. Molec. Spectrosc. 195, 54 (1999); Lanquetin, Coudert, and Camy-Peyret, J. Molec. Spectrosc. 206, 83 (2001); and Coudert, Pirali, Vervloet, Lanquetin, and Camy-Peyret, J. Molec. Spectrosc. 2004, submitted. $^{b}$Bunker and Moss, J. Molec. Spectrosc. 80, 217 (1980). $^{c}$Partridge and Schwenke, J. Chem. Phys. 106, 4618 (1997).

Triad (sociology)

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Torsional effects in molecular alignment

Physical Review A (2013)

Juan Ortigoso L. H. Coudert

A detailed theoretical formalism for the calculation of energy levels and eigenfunctions of molecules with a large amplitude coordinate in the presence of a strong laser pulse is developed based on a discrete variable representation to setup the Hamiltonian matrix. This approach is applied to nonrigid biphenyl-like molecules displaying a large amplitude motion corresponding to respective rotations of their two groups. The eigenvalues and eigenvectors obtained in several limiting cases of the hindering potential can be symmetry labeled and provide us with useful insights into the feasibility of torsional alignment. The present results support the rotation-induced breakdown of torsional alignment, under adiabatic following, previously described by Coudert, Pacios, and Ortigoso [Phys. Rev. Lett. 107, 113004 (2011)].

Eigenfunction

Hamiltonian (control theory)

Limiting

Formalism (music)

10.1103/physreva.87.043403

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Tunneling motions in the Ar–CHF3 complex

Journal of Molecular Spectroscopy (2010)

L. H. Coudert Walther Camináti Assimo Maris P. Ottaviani

Maxima and minima

Potential energy surface

10.1016/j.jms.2010.02.003

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THE FIRST ASTROPHYSICAL DETECTION, TERAHERTZ SPECTRUM, AND DATABASE FOR THE MONODEUTERATED SPECIES OF METHYL FORMATE HCOOCH₂D

The Astrophysical Journal (2013)

L. H. Coudert Brian J. Drouin B. Tercero J. Cernicharo Jean‐Claude Guillemin

Based on new measurements carried out in the laboratory from 0.77 to 1.2 THz and on a line-frequency analysis of these new data, along with previously published data, we build a line list for HCOOCH2D that leads to its first detection in the Orion KL nebula. The observed lines, both in space and in the laboratory, involve the cis D-in-plane and trans D-out-of-plane conformations of HCOOCH2D and the two tunneling states arising from the large-amplitude motion connecting the two trans configurations. The model used in the line position calculation accounts for both cis and trans conformations, as well as the large-amplitude motion.

Line (geometry)

Proper motion

10.1088/0004-637x/779/2/119

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Citations (25)