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.

NIST Physical Measurement Laboratory National Institute of Standards and Technology NIST Physical Measurement Laboratory Back to the molecule selection page Back to the Hydrocarbon Spectral Database main page