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

Raúl Colorado-Peralta, Alfonso Xotlanihua-Flores, Juan Carlos Gálvez-Ruíz, Sonia A. Sánchez-Ruíz, Rosalinda Contreras, Angelina Flores-Parra*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

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 2-(1,3,5-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 1H, 13C, 11B, 31P, 77Se, NMR and VT-NMR experiments. BH3, BCl3, 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.

Original languageEnglish
Pages (from-to)21-33
Number of pages13
JournalJournal of Molecular Structure
Volume981
Issue number1-3
DOIs
StatePublished - 24 Sep 2010

Keywords

  • C3 compounds
  • Dithiazinanylethanol
  • Tripodal boric esters
  • Tripodal phosphates
  • Tripodal phosphites

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