Singlet-triplet energy gap in a cyclophane-based organic diradical with parallel exchange coupling pathways

Chemical Communications

Volumn , Issue 12, 2000, Pages 1021-1022

  Rajca, Andrzej ^a   Rajca, Suchada ^a   Wongsriratanakul, Jirawat ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOPHANE; RADICAL;

ARTICLE; ELECTRON SPIN RESONANCE; ENERGY; MAGNET; SYNTHESIS;

EID: 0034697788     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/b001273o     Document Type: Article

References (30)

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30. -1, respectively. Values of S(S + 1) are 2.05-2.06 and 1.04-1.05 for the triplets and the broken symmetry singlets, respectively. Also, the total spin densities at the sites i and j are -0.073 (for 1) and -0.049 (for 2). Gaussian 98, Gaussian, Inc., Pittsburgh, PA, 1998.