Abstract:
The DFT, B3LYP/Gen and 6-311++G(d,p)/SDD calculations of the reaction paths of a circumambulatory rearrangement of 5-iodocyclopentadiene showed that, under the application of a rotating electric field, the molecule behaves as a rotor-type molecular motor with the unidirectional motion of the iodine atom along the perimeter of the five-membered ring (k298 = 630 s–1).
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Document Type:
Article
Language: English
Citation:
G. A. Dushenko, I. E. Mikhailov, O. I. Mikhailova, R. M. Minyaev, V. I. Minkin, “Unidirectional migration of the iodine atom over a cyclopentadiene ring in a rotating electric field”, Mendeleev Commun., 25:1 (2015), 21–23
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https://www.mathnet.ru/eng/mendc2286
https://www.mathnet.ru/eng/mendc/v25/i1/p21
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