DFT study of the mechanism of nitration of toluene with nitronium

Journal of Physical Organic Chemistry

Volumn 18, Issue 1, 2005, Pages 62-68

  Chen, Litao ^a,b   Xiao, Heming ^a   Xiao, Jijun ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b ZHEJIANG UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

DFT; Nitration mechanism; Selectivity; Toluene

Indexed keywords

COMPLEXATION; COMPUTATIONAL GEOMETRY; ISOMERS; NITRATION; NITROGEN COMPOUNDS; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS; TOLUENE;

ELECTROPHILICITY; NITRATION MECHANISM; NITRONIUM; POSITIONAL SELECTIVITY;

REACTION KINETICS;

EID: 10944226813     PISSN: 08943230     EISSN: None     Source Type: Journal    
DOI: 10.1002/poc.771     Document Type: Article

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