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Molecular compounds and complexes. XVI. 9,10-Dihydroanthracene (I) (C14H12) (a redetermination) and 9,10-dihydroanthracene:bis(1,3,5-trinitrobenzene) (II) (C14H12.C6H3N3O6)

✍ Scribed by Herbstein, F. H. ;Kapon, M. ;Reisner, G. M.

Book ID
114514314
Publisher
International Union of Crystallography
Year
1986
Tongue
English
Weight
733 KB
Volume
42
Category
Article
ISSN
0108-7681

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## Abstract The calculated difference in the standard heat of formation Ξ” Ξ”~f~HΒ°(298.15) of __n__‐ and __i__‐C~4~__H__~3~^β€’^ free radicals is 37.9 kJ mol^βˆ’1^ for G3MP2B3 and 45.0 kJ mol^βˆ’1^ for CCSD(T)‐CBS (W1U) calculations, which seems to preclude the direct even‐carbon radical pathway to benzene