Substituent effects on the energies of the electronic transitions of geminally diphenyl-substituted trimethylenemethane (TMM) radical cations. Experimental and theoretical evidence for a twisted molecular and localized electronic structure

Journal of Physical Chemistry A

Volumn 111, Issue 20, 2007, Pages 4436-4442

  Namai, Hayato ^a   Ikeda, Hiroshi ^b   Kato, Nobuyuki ^a   Mizuno, Kazuhiko ^b  

^a TOHOKU UNIVERSITY   (Japan)

^b Osaka Prefecture University   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE; POSITIVE IONS; SUBSTITUTION REACTIONS;

ELECTRONIC TRANSITION BANDS; HAMMETT TREATMENT; TRIMETHYLENEMETHANE (TMM);

METHANE;

EID: 34250368069     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp068308l     Document Type: Article

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38. ̇+. This is also in line with our conclusion.