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., 2015, Volume 25, Issue 1,Pages <nobr>21

This article is cited in 10 papers

Communications

Unidirectional migration of the iodine atom over a cyclopentadiene ring in a rotating electric field

G. A. Dushenko^ab, I. E. Mikhailov^ac, O. I. Mikhailova^a, R. M. Minyaev^b, V. I. Minkin^ab

^a Southern Scientific Center of the Russian Academy of Sciences, Rostov-on-Don, Russian Federation
^b Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation
^c Department of Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation

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).

Language: English

DOI: 10.1016/j.mencom.2015.01.007