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).
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
Linking options:
https://www.mathnet.ru/eng/mendc2286
https://www.mathnet.ru/eng/mendc/v25/i1/p21
This publication is cited in the following 10 articles:
G. A. Dushenko, I. E. Mikhailov, V. I. Minkin, “Circumambulatory Migrations of Arylazo Groups in Pentakis(methoxycarbonyl)- and Pentamethylcyclopentadienes”, Russ J Org Chem, 59:9 (2023), 1523
G. A. Dushenko, I. E. Mikhailov, V. I. Minkin, “Circumambulatory migrations of arylazo groups in the systems of pentamethoxycarbonyland pentamethylcyclopentadiene”, Žurnal organičeskoj himii, 59:9 (2023), 1193
G. A. Dushenko, I. E. Mikhailov, O. I. Mikhailova, R. M. Minyaev, V. I. Minkin, “Structure elucidation of pentakis(methoxycarbonyl)- and amidinyltetrakis(methoxycarbonyl)cyclopentadienyl complexes of gold(I) by quantum chemistry methods”, Russ Chem Bull, 71:9 (2022), 1847
I. E. Mikhailov, G. A. Dushenko, V. I. Minkin, “Pentacarboxycyclopentadienes in Organic Synthesis”, Russ J Org Chem, 57:11 (2021), 1757
G. A. Dushenko, I. E. Mikhailov, O. I. Mikhailova, R. M. Minyaev, V. I. Minkin, “3,3-Sigmatropic Shifts of Allyl Group Along Cyclopentadiene Ring Perimeter”, Russ J Gen Chem, 90:2 (2020), 161
G. A. Dushenko, I. E. Mikhailov, V. I. Minkin, “Circumambulatory Rearrangements of
5-Halo-1,2,3,4,5-pentaphenylcyclopentadienes”, Russ J Org Chem, 56:10 (2020), 1744
G.A. Dushenko, I.E. Mikhailov, O.I. Mikhailova, R.M. Minyaev, V.I. Minkin, “STRUKTURA I PEREGRUPPIROVKI 7-(GEPTAFENILTsIKLOGEPTATRIENIL)IZOKhALKOGENTsIANATOV, “Zhurnal organicheskoi khimii””, Zhurnal organicheskoi khimii, 2018, no. 8, 1127
G. A. Dushenko, I. E. Mikhailov, O. I. Mikhailova, R. M. Minyaev, V. I. Minkin, “Reversible Migrations of Nitro Group in a Methyltetramethoxycarbonylcyclopentadiene System”, Dokl Chem, 479:2 (2018), 53
G. A. Dushenko, I. E. Mikhailov, O. I. Mikhailova, R. M. Minyaev, V. I. Minkin, “Structure and Rearrangements of 7-(Heptaphenylcycloheptatrienyl)isochalcogencyanates”, Russ J Org Chem, 54:8 (2018), 1134
G. A. Dushenko, I. E. Mikhailov, O. I. Mikhailova, R. M. Minyaev, V. I. Minkin, “Mechanisms of circumambulatory rearrangements of 5-halogeno-1,2,3,4,5-pentamethoxycarbonylcyclopentadienes”, Russ Chem Bull, 64:9 (2015), 2043
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