Tripodal molecules derived from ethanoldithiazinanes centered on boron and phosphorus atoms. Structural analyses by NMR and HF/6-31G(d) calculations

A series of boric esters. phosphites. phosphates. thiophosphates and selenophosphates derived from 2-(1,3,5-dithiazinan-5-yl)-ethanol (1). 2-(1,3,5-dithiazinan-5-yl)-1-methyl-ethanol (2), and 241,3,5-dithiazinan-5-yl)-1-phenylethanol (3) are reported Enantiopure compounds (C3 symmetry) were prepared from 2(-) and 3(-) of (R) configuration The new tripodal molecules were viscous liquids which were mainly characterized by H-1, C-13, B-11, P-31, Se-77, NMR and VT-NMR experiments. BH3, BCI3, pyridine and PPh3O adducts of boric esters as well as the BH3 adducts of phosphites were synthesized. The molecular geometries were calculated by HF/6-31G(d). The modeled molecules indicated a preferred ligand conformation which led to the formation of cavities The complex NMR spectra of isomers were interpreted by comparison with the calculated geometries (C) 2010 Elsevier B V All rights reserved.