High resolution millimeter-wave spectroscopy of cyclopropylphosphine-borane. - CNRS - Centre national de la recherche scientifique Accéder directement au contenu
Article Dans Une Revue Journal of Physical Chemistry A Année : 2012

High resolution millimeter-wave spectroscopy of cyclopropylphosphine-borane.

Résumé

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.

Domaines

Chimie organique
Fichier non déposé

Dates et versions

hal-00904896 , version 1 (15-11-2013)

Identifiants

Citer

Roman A. Motiyenko, Laurent Margulès, Jean-Claude Guillemin. High resolution millimeter-wave spectroscopy of cyclopropylphosphine-borane.. Journal of Physical Chemistry A, 2012, 116 (6), pp.1565-70. ⟨10.1021/jp211611t⟩. ⟨hal-00904896⟩
43 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More