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Bicyclo[4.4.0]deca‐1,6‐diene‐2,7‐diyl: A 1,4‐Didehydrobutadiene Derivative
Author(s) -
Roth Wolfgang. R.,
Wasser Thorsten,
Gleiter Rolf,
Weigl Hagen
Publication year - 1997
Publication title -
liebigs annalen
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.825
H-Index - 155
eISSN - 1099-0690
pISSN - 0947-3440
DOI - 10.1002/jlac.199719970708
Subject(s) - chemistry , diradical , hydrogen atom abstraction , bicyclic molecule , supercritical fluid , enthalpy , atmospheric temperature range , standard enthalpy of formation , diene , standard enthalpy change of formation , derivative (finance) , thermodynamics , range (aeronautics) , computational chemistry , hydrogen , medicinal chemistry , organic chemistry , atomic physics , physics , natural rubber , financial economics , economics , materials science , singlet state , composite material , excited state
From the NO‐ and O 2 ‐dependence of the trapping rate of 1,6‐cyclodecadiyne ( 3 ) in the gas phase and in supercritical CO 2 in the temperature range 160–290°C, the enthalpy profile for the equilibrium 3 ⇌ 4 has been established. For the diradical 4 , a heat of formation of 116.2 kcal · mol −1 is obtained, which agrees well with the expectation value derived by the abstraction of two hydrogen atoms from hexahydronaphthalene ( 5 ).
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