The regiochemistry of the NO3-promoted gas phase nitration of toluene and phenol with NO2

Journal of Physical Organic Chemistry

Volumn 19, Issue 8-9, 2006, Pages 570-578

  Bolzacchini, Ezio ^a   Bruschi, Maurizio ^a   Galliani, Guido ^a   Hjorth, Jens ^b   Orlandi, Marco ^a   Rindone, Bruno ^a  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b JOINT RESEARCH CENTRE   (Italy)

Author keywords

Density functional theory; Gas phase; Nitrate radical; Nitration; Phenol; Toluene

Indexed keywords

FREE ENERGY; FREE RADICALS; NITRATION; PROBABILITY DENSITY FUNCTION; TOLUENE;

DENSITY FUNCTIONAL THEORY; GAS PHASE NITRATION; LINEAR FREE ENERGY; NITRATE RADICAL; REGIOCHEMISTRY;

PHENOLS;

EID: 33846498444     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1060     Document Type: Conference Paper

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