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- W2084636964 abstract "The reaction of 1,2,4-selenadiphosphole with dimethyl acetylenedicarboxylate resulted in a mixture of 1,2-selenaphosphole and 1,3-selenaphosphole at 110 °C in boiling toluene. The mechanism has been interpreted by quantum chemical calculations. A cycloreversion process of the 1,2,4-selenadiphosphole has been ruled out on the basis of the high energy of the selenaphosphirene intermediate. A [4 + 2] cycloaddition of the acetylene on the selenadiphosphole results in the 1,2-selenaphosphole via an intermediate. A [3 + 2] cycloaddition via a single transition structure results in the 1,3-selenaphosphole. While the energies of the products differ considerably, transition structures on the two cycloaddition routes are predicted to have similar energies, explaining the observed 1 : 1 product ratio." @default.
- W2084636964 created "2016-06-24" @default.
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- W2084636964 date "2010-05-22" @default.
- W2084636964 modified "2023-09-26" @default.
- W2084636964 title "ChemInform Abstract: Formation of Selenaphosphole Isomers from 1,2,4-Selenadiphosphole by Cycloaddition Reaction. A Synthetic and ab initio Quantum Chemical Study." @default.
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- W2084636964 doi "https://doi.org/10.1002/chin.200207173" @default.
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