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Proceeding Paper

Effect of Acceptor and Donor Substituents in the ortho, meta, and para Positions in the Nitrobenzene Molecule on the Reaction of Interaction with Ethylene †

by
Yuri V. Minasyan
,
Anastasia I. Degtyarenko
,
Karina D. Кosmacheva
,
Sergei D. Plekhovich
* and
Sergei V. Zelentsov
NNGU. Chemical Department, Nizhnii Novgorod State University, Nizhnii Novgorod 603950, Russia
*
Author to whom correspondence should be addressed.
†
Presented at the 22nd International Electronic Conference on Synthetic Organic Chemistry, 15 November–15 December 2018; Available Online: https://sciforum.net/conference/ecsoc-22.
Proceedings 2019, 9(1), 50; https://doi.org/10.3390/ecsoc-22-05770
Published: 14 November 2018
(This article belongs to the Proceedings of 22nd International Electronic Conference on Synthetic Organic Chemistry)
Versions Notes

Abstract

The uB3LYP/6-311g++(d,p) method in the gas phase was used to simulate the reaction of ethylene with ortho, meta, para methylnitrobenzene, chloronitrobenzene, (CCl3)PhNO2, (CF3)PhNO2 in the T1 state, as well as determining the influence of the position of donor and acceptor substituents in the benzene ring on the activation energy of the reaction under study. It is established that during the reaction ethylene oxide and nitroso compound are formed.
Keywords: uB3LYP; reaction mechanism; the triplet state; transitional state, nitrobenzene uB3LYP; reaction mechanism; the triplet state; transitional state, nitrobenzene

Share and Cite

MDPI and ACS Style

Minasyan, Y.V.; Degtyarenko, A.I.; Кosmacheva, K.D.; Plekhovich, S.D.; Zelentsov, S.V. Effect of Acceptor and Donor Substituents in the ortho, meta, and para Positions in the Nitrobenzene Molecule on the Reaction of Interaction with Ethylene. Proceedings 2019, 9, 50. https://doi.org/10.3390/ecsoc-22-05770

AMA Style

Minasyan YV, Degtyarenko AI, Кosmacheva KD, Plekhovich SD, Zelentsov SV. Effect of Acceptor and Donor Substituents in the ortho, meta, and para Positions in the Nitrobenzene Molecule on the Reaction of Interaction with Ethylene. Proceedings. 2019; 9(1):50. https://doi.org/10.3390/ecsoc-22-05770

Chicago/Turabian Style

Minasyan, Yuri V., Anastasia I. Degtyarenko, Karina D. Кosmacheva, Sergei D. Plekhovich, and Sergei V. Zelentsov. 2019. "Effect of Acceptor and Donor Substituents in the ortho, meta, and para Positions in the Nitrobenzene Molecule on the Reaction of Interaction with Ethylene" Proceedings 9, no. 1: 50. https://doi.org/10.3390/ecsoc-22-05770

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