A. Barhoumi, M. idrissi, S. Bakkas, A. Zeroual, A. Tounsi, A. Hajbi
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引用次数: 1
Abstract
The reaction of diethyl trichloro-methyl phosphonate (C1) with diphenyl methyl phosphinite (C2), has been scrutinized within the Density Function Theory at the B3LYP/6-311(d,p) computational level. The regiosomeric reaction paths involving the two center of compound (C1) have been studied. DFT calculations account for the high regioselectivity in the chlorine atom, in complete agreement with the experimental outcomes.
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