DFT Study on Nitration Mechanism of Benzene with Nitronium Ion-Reference-Cited by-同舟云学术

DFT Study on Nitration Mechanism of Benzene with Nitronium Ion

Published:2003-11-25 Issue:51 Volume:107 Page:11440-11444
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Chen Litao¹,Xiao Heming¹,Xiao Jijun¹,Gong Xuedong¹

Affiliation:

1. Department of Chemistry, Nanjing University of Science & Technology, Nanjing 210094, P.R. China, and Institute of Chemical Engineering, Zhejing University of Technology, Hangzhou 310014, P.R. China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp030167p

Reference36 articles.

1. A Quantum Mechanical Investigation of the Orientation of Substituents in Aromatic Molecules

2. Properties of some possible intermediate stages in the nitration of benzene and toluene

3. A theoretical study of the nitration of ethylene and benzene with the nitronium ion

4. Theoretical study on mechanism and selectivity of electrophilic aromatic nitration

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