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We report ab initio calculations at the B3LYP/6-311G** level of theory for the title reagent. Four stationary points on the molecular potential energy surface have been located and characterized. Three of these stationary points are energy minima, one a saddle point. The minima correspond to the conventional Ph 3 PCl 2 (three-fold Cl–P–Cl axis with twisted phenyl rings), the ion-pair...
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