Deprotonation of 1,2-dialkylpyridinium ions: A DFT study of reactivity and site selectivity

Journal of Physical Chemistry A

Volumn 111, Issue 36, 2007, Pages 8823-8828

  Gupta, Neelima ^a   Garg, Reena ^a   Shah, Kirti Kr ^a   Tanwar, Akhilesh ^b,c   Pal, Sourav ^b  

^a UNIVERSITY OF RAJASTHAN   (India)

^b NATIONAL CHEMICAL LABORATORY   (India)

^c CENTRE FOR DEVELOPMENT OF ADVANCED COMPUTING   (India)

Author keywords

[No Author keywords available]

Indexed keywords

DEPROTONATION; MOLECULAR INTERACTIONS; MOLECULAR MODELING; REACTION RATES; SUBSTITUTION REACTIONS;

DEPROTONATION ENERGIES; DISUBSTITUTED PYRIDINIUM IONS; FUKUI FUNCTIONS; SITE-SELECTIVITY MODELS;

NITROGEN COMPOUNDS;

EID: 34848907699     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp072812o     Document Type: Article

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