Mechanism of the Reactions of (2,2-Dimethyl-1-((Trimethylsilyl)Oxy)Propylidene)-(Trimethylsilyl)Phosphine with Nucleophilic and Electrophilic Reagents

GRAPHICAL ABSTRACT

Abstract

The mechanism of the reaction of 3,3-dimethyl-2-trimethylsiloxy-1-trimethylsilyl-1-phosphabut-1-ene with bis(phenylendioxy)chlorophosphorane was studied by the density functional theory method. According to the quantum chemical calculations this interaction occurs in parallel on two reaction centers: P^II atom (electrophilic substitution) and O atom (nucleophilic substitution).

Keywords:

• Phosphaalkenes
• halogenophosphoranes
• reaction mechanism
• electrophilic substitution
• nucleophilic substitution
• quantum chemical calculations