Ab initio study of the solvent effects on the singlet-triplet gap of nitrenium ions and carbenes

Journal of Physical Chemistry A

Volumn 102, Issue 16, 1998, Pages 2732-2738

  Gonzalez, Carlos ^a,e   Restrepo Cossio, Albeiro ^b   Márquez, Manuel ^c   Wiberg, Kenneth B ^c   De Rosa, Michael ^d  

^a CARNEGIE MELLON UNIVERSITY   (United States)

^b FLORIDA ATLANTIC UNIVERSITY   (United States)

^c YALE UNIVERSITY   (United States)

^d PENNSYLVANIA STATE UNIVERSITY   (United States)

^e NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001743567     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp981150n     Document Type: Article

References (78)

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78. The Onsager function, OF, is related to the bulk dielectric constant, ∈, by the expression OF = (∈ - 1)/2∈.