Decarbonylation Path of 5-Phenyl-2,3-dihydrofuran-2,3-dione: Ab Initio Calculations |
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| Authors: | S. V. Kol'tsova V. P. Feshin |
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| Affiliation: | (1) Ural Division, Russian Academy of Sciences, Institute of Technical Chemistry, ul. Lenina 13, Perm, 614990, Russia |
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| Abstract: | The gradient path of decarbonylation of 5-phenyl-2,3-dihydrofuran-2,3-dione in the gas phase was calculated ab initio [RHF/6-31G(d)]. It includes formation of a planar transition state which is less polar than the initial compound. |
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