title: Jet-cooled hydrates of chiral (S) 1,2,3,4-tetrahydro-3-isoquinoline methanol (THIQM): structure and mechanism of formation.
abstract: The mechanism of formation of hydrates of chiral (S) 1,2,3,4-tetrahydro-3-isoquinoline (THIQM) with two water molecules has been investigated in jet-cooled condition by means of resonance-enhanced two-photon ionization and IR-UV double resonance experiments. Quantum chemical calculations reveal that only one isomer of the THIQM is involved in the THIQM-(H(2)O)(2) complex formation, in contrast with what was observed for THIQM-(H(2)O). Anharmonic vibration calculations allowed unambiguous assignment of THIQM-(H(2)O)(2) to a complex resulting from the addition of a water molecule on the most stable THIQM-(H(2)O) complex. A sequential mechanism for complex formation has been deduced from these results.
authors.affiliation: CNRS, Institut des Sciences Moléculaires d'Orsay, UMR8214, Orsay, F-91405, France. katia.le-barbu-debus@u-psud.fr
authors.forename: Katia
authors.initials: K
authors.lastname: Le Barbu-Debus
authors.forename: Ananya
authors.initials: A
authors.lastname: Sen
authors.forename: Michel
authors.initials: M
authors.lastname: Broquier
authors.forename: Anne
authors.initials: A
authors.lastname: Zehnacker