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- W2014023647 abstract "The rearrangement of W(CO)5-complexed 7-phosphanorbornadiene 1 to the 7-phosphatricyclo[3.2.04,6]hept-2-ene complex 2 is investigated experimentally and with the aid of ab initio theory at MP2(fc)/6-31G*. Photochemical concerted and thermal biradical pathways are considered. Calculations on the uncomplexed parent system indicate that a thermal rearrangement is unlikely because of its 6.4 kcal/mol endothermicity. The relationship of the 1 → 2 rearrangement with the CuCl-catalyzed, thermal decomposition of 1 to generate the incipient phosphinidene complex PhPW(CO)5 is discussed." @default.
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- W2014023647 date "1997-09-01" @default.
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- W2014023647 title "Rearrangement of a W(CO)<sub>5</sub>-Complexed 7-Phosphanorbornadiene Analyzed by ab Initio MO Calculations" @default.
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- W2014023647 doi "https://doi.org/10.1021/om9703649" @default.
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