C6H4   -   Benzyne

Molecular constants for o-benzyne, _CHCCCHCH_CH

Parameter Value Ref. Parameter Value Ref.
A″ [MHz] 6989.713(16) a A [MHz] 6989.665(8) 86005
B″ [MHz] 5706.795(14) B [MHz] 5706.759(7)
C″ [MHz] 3140.368(6) C [MHz] 3140.384(4)
τ1 [kHz] -8.76(406) DJK [kHz] 1.55(1)
τ2 [kHz] -2.00(136) d2 -0.241(3)
τ3 [kHz] 92.6(168) b  
τaaaa [kHz] -9.29(102)
τbbbb [kHz] -4.55(120)

 

a J. Phys. Chem. Ref. Data 18(3), 1245-1524 (1989).

b Value determined from planarity conditions.


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