High resolution millimeter-wave spectroscopy ...
Type de document :
Compte-rendu et recension critique d'ouvrage
DOI :
PMID :
Titre :
High resolution millimeter-wave spectroscopy of cyclopropylphosphine-borane.
Auteur(s) :
Motiienko, Roman [Auteur correspondant]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Margulès, Laurent [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Guillemin, Jean-Claude [Auteur]
Institut des Sciences Chimiques de Rennes [ISCR]

Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Margulès, Laurent [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Guillemin, Jean-Claude [Auteur]
Institut des Sciences Chimiques de Rennes [ISCR]
Titre de la revue :
Journal of Physical Chemistry A
Pagination :
1565-70
Éditeur :
American Chemical Society
Date de publication :
2012-02-16
ISSN :
1089-5639
Discipline(s) HAL :
Chimie/Chimie organique
Résumé en anglais : [en]
The microwave spectrum of cyclopropylphosphine-borane, C(3)H(5)PH(2)-BH(3), has been investigated in the frequency range 150-195 GHz. The spectral assignment was supported by high level ab initio calculations. Two stable ...
Lire la suite >The microwave spectrum of cyclopropylphosphine-borane, C(3)H(5)PH(2)-BH(3), has been investigated in the frequency range 150-195 GHz. The spectral assignment was supported by high level ab initio calculations. Two stable conformations have been predicted: the most stable antiperiplanar form and synclinal form that is higher in energy by 7.3 kJ/mol. In the observed spectra, only the most stable antiperiplanar (ap) form has been assigned. The analysis of the rotational spectra in the lowest excited vibrational states of the ap conformer has enabled determination of the potential function for the C-P torsional mode in the vicinity of equilibrium position. The barrier to internal rotation of the BH(3) top has been determined to be 9.616(15) kJ/mol and agrees well with quantum chemical calculations.Lire moins >
Lire la suite >The microwave spectrum of cyclopropylphosphine-borane, C(3)H(5)PH(2)-BH(3), has been investigated in the frequency range 150-195 GHz. The spectral assignment was supported by high level ab initio calculations. Two stable conformations have been predicted: the most stable antiperiplanar form and synclinal form that is higher in energy by 7.3 kJ/mol. In the observed spectra, only the most stable antiperiplanar (ap) form has been assigned. The analysis of the rotational spectra in the lowest excited vibrational states of the ap conformer has enabled determination of the potential function for the C-P torsional mode in the vicinity of equilibrium position. The barrier to internal rotation of the BH(3) top has been determined to be 9.616(15) kJ/mol and agrees well with quantum chemical calculations.Lire moins >
Langue :
Anglais
Vulgarisation :
Non
Source :