Title :

Competition between inter-and intra-molecular hydrogen bonding: An infrared spectroscopic study of jet-cooled amino-ethanol and its dimer

Author(s) :

Asselin, Pierre [Auteur]
De la Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies [MONARIS]
Madebène, Bruno [Auteur]
De la Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies [MONARIS]
Soulard, Pascale [Auteur]
De la Molécule aux Nanos-objets : Réactivité, Interactions et Spectroscopies [MONARIS]
Georges, Robert [Auteur]
Institut de Physique de Rennes [IPR]
Goubet, Manuel [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
HUET, Therese [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Pirali, Olivier [Auteur]
Synchrotron SOLEIL [SSOLEIL]
Institut des Sciences Moléculaires d'Orsay [ISMO]
Zehnacker-Rentien, Anne [Auteur]
Institut des Sciences Moléculaires d'Orsay [ISMO]

Journal title :

Journal of Chemical Physics

Pages :

224313

Publisher :

American Institute of Physics

Publication date :

2016-12-14

ISSN :

0021-9606

English keyword(s) :

Molecular physics

HAL domain(s) :

Chimie
Physique [physics]

English abstract : [en]

The Fourier transform IR vibrational spectra of amino-ethanol (AE) and its dimer have been recorded at room temperature and under jet-cooled conditions over the far and mid infrared ranges (50-4000 cm 1) using the White-type ...
Show more >The Fourier transform IR vibrational spectra of amino-ethanol (AE) and its dimer have been recorded at room temperature and under jet-cooled conditions over the far and mid infrared ranges (50-4000 cm 1) using the White-type cell and the supersonic jet of the Jet-AILES apparatus at the synchrotron facility SOLEIL. Assignment of the monomer experimental frequencies has been derived from anharmonic frequencies calculated at a hybrid CCSD(T)-F12/MP2 level. Various thermodynamical effects in the supersonic expansion conditions including molar dilution of AE and nature of carrier gas have been used to promote or not the formation of dimers. Four vibrational modes of the observed dimer have been unambiguously assigned using mode-specific scaling factors deduced from the ratio between experimental and computed frequencies for the monomer. The most stable g Gg monomer undergoes strong deformation upon dimerization, leading to a homochiral head to head dimer involving two strong hydrogen bonds.Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

Collections :

• Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM) - UMR 8523

Source :

Harvested from HAL