Ontology highlight
ABSTRACT:
SUBMITTER: Vincze D
PROVIDER: S-EPMC6864784 | biostudies-literature | 2019 Oct
REPOSITORIES: biostudies-literature
Molecules (Basel, Switzerland) 20191025 21
<i>H</i>-phosphonates, <i>H</i>-phosphinates and secondary phosphine oxides may be preligands, and are important building blocks in the synthesis of pharmaceuticals, pesticides, and <i>P</i>-ligands. The prototropic tautomerism influenced by substituent effects plays an important role in the reactivity of these species. The main goal of our research was to study the tautomerism of the >P(O)H reagents by means of computational investigations applying several DFT methods at different levels. We fo ...[more]