C6H8   -   1,3-Cyclohexadiene

Molecular constants for 1,3-cyclohexadiene

Parameter Ground State Ref. υ36 = 1 υ35 = 1 Ref.
A″ [MHz] 5073.9995(92) a 5069.50 5071.72 65031
B″ [MHz] 5062.3483(59) 5055.20 5061.32
C″ [MHz] 2701.6929(40) 2695.80 2703.51
τ1 [kHz] -9.890(1008)  
τ2 [kHz] -2.794(335)
τ3 [kHz] 6.700(380) b
τaaaa [kHz] -5.98(50)
τbbbb [kHz] -4.247(406)
τcccc [kHz] -1.14(33)
Electric Dipole Moment
µa [C · m]
    µa [D]
1.458(47) x 10-30
    0.437(14)
65031
 
a J. Phys. Chem. Ref. Data 18(3), 1245-1524 (1989). Note that the ground state transitions we inadvertantly excluded in the publication in Table 61.2 but are included here.
 
b Value fixed by setting R6 = 0.

 


 

C6H8   -   Tricyclo[2.2.0.02,6]hexane

Molecular constants for Tricyclo[2.2.0.02,6]hexane

Species A [MHz] B [MHz] C [MHz] Ref.
Normal 5954.0715(26) 5256.3934(29) 4174.3995(34) a
1 - 13C 5867.626(3) 5210.559(4) 4160.403(2) 75051
2 - 13C 5901.561(2) 5216.169(3) 4131.711(1)
3 - 13C 5920.845(2) 5167.746(3) 4110.496(2)
4 - 13C 5876.278(10) 5240.566(9) 4146.176(7)
1 - d1 5634.473(4) 5085.973(4) 4119.973(5)
2 - d1 5763.411(3) 5117.623(3) 4020.351(4)
en-3-d1 5762.491(2) 5077.017(2) 4069.970(2)
ex-3-d1 5924.913(2) 5004.566(2) 4002.300(2)
4 - d1 5649.614(4) 5182.197(5) 4067.030(5)
en-3,5-d2 5553.196(11) 4938.978(14) 3968.920(7)
Electric Dipole Moment
µb [C · m]
    µb [D]
0.297(13) x 10-30
    0.089(4)
 
µc [C · m]
    µc [D]
0.6815(13) x 10-30
    0.2043(4)
 
a J. Phys. Chem. Ref. Data 18(3), 1245-1524 (1989).

 


 

C6H8   -   Bicyclo[2.1.1]hex-2-ene

Molecular constants for bicyclo[2.1.1]hex-2-ene

Species A [MHz] B [MHz] C [MHz] Ref.
Normal 5820.66(12) 4689.6060(67) 4289.5905(66) a
1 - 13C 5752.524(103) 4685.847(6) 4249.150(7) 76054
2 - 13C 5792.950(58) 4627.840(3) 4223.050(3)
5 - 13C 5748.483(79) 4612.760(4) 4264.360(4)
Electric Dipole Moment
µa [C · m]
    µa [D]
0.997(27)  x 10-30
    0.299(8)
 
a J. Phys. Chem. Ref. Data 18(3), 1245-1524 (1989).

 


 

Molecular constants for bicyclo[3.1.0]hex-2-ene

Species A [MHz] B [MHz] C [MHz] Ref.
Normal 6306.121(66) 4516.6670(43) 3208.8226(18) a
1 - 13C 6249.016(4) 4489.502(4) 3187.593(1) 78030
2 - 13C 6200.995(8) 4498.162(36) 3172.108(4)
5 - 13C 6249.495(26) 4492.845(10) 3188.046(4)
6 - 13C 6276.204(55) 4418.036(24) 3166.229(5)
Electric Dipole Moment
µa [C · m]
    µa [D]
0.554(30) x 10-30
    0.166(9)
µb [C · m]
    µb [D]
0.697(50) x 10-30
    0.209(15)
µc [C · m]
    µc [D]
0.397(3) x 10-30
    0.119(1)
 
a J. Phys. Chem. Ref. Data 18(3), 1245-1524 (1989).

 


 

C6H8   -   1,2-Dimethylene cyclobutane

Molecular constants for 1,2-dimethylene cyclobutane

  Parameter   Ground State Ref.
A″ [MHz] 4925.1758(49) a
B″ [MHz] 4089.9668(102)
C″ [MHz] 2301.6881(46)
τ1 [kHz] 3.77(71)
τ2 [kHz] 0 b
τ3 [kHz] -55.(32) c
τaaaa [kHz] 0 b
τbbbb [kHz] -8.10(108)
τcccc [kHz] -0.64(21
µa [C · m]
    µa [D]
1.524(7) x 10-30
    0.457(2)
  75052  
 
a J. Phys. Chem. Ref. Data 18(3), 1245-1524 (1989).
 
b Fixed at zero.
 
c Value fixed by setting R6 = 0.

 

 

Molecular constants for vibrational states of 1,2-dimethylene cyclobutane

Vibrational State υ A [MHz] B [MHz] C [MHz] Ref.
_C(CH2)C(CH2)CH2_CH2   1   4930.092 4080.071 2308.365 75052
2 4934.096 4071.403 2313.958
3 4937.205 4064.896 2318.945
4 4939.677 4059.131 2323.442


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