Gas-Phase Molecular Structure of 2-Halo-1,3-dihetero-2-phospholanes

摘要

The molecular structure of 2-chloro-1,3-dithia-2-phospholane was determined using gas-phase electron diffraction and ab initio calculations. The heteroring in the molecule has an asymmetric structure like a symmetric P-envelope twisted about the C-C bond with the an axial P-Cl bond. Geometric parameters of the molecular and mean vibration applitudes were determined. The molecular structure of 2-chloro-1,3-oxa-thia-2-phospholane was predicted. The molecule in the gas phase has two conformers [twisted C(O)- and C(S)- envelope] with an axial P-Cl bond.