C10H8   -   Azulene

Rotational analysis of azulene in the ground vibrational state

Parameter Value Ref.
A″ [MHz] 2841.9543(59)  a 
B″ [MHz] 1254.8449(32)
C″ [MHz] 870.7147(29)
τ1 [kHz] -1.018(800)
τ2 [kHz] -0.272(250)
τ3 [kHz] 3.33(200) b
τaaaa [kHz] 0.17(130)
τbbbb [kHz] -0.025(22)
τcccc [kHz] -0.068(214)
 
a J. Phys. Chem. Ref. Data 18(3), 1245-1524 (1989)
 
b Value fixed by setting R6 = 0.

 

 

Molecular constants for azulene in the ground and excited vibrational states

Parameter Ground State Vibrational State Ref.
ν23 = 1 ν23 = 2 ν48 = 1
A [MHz] 2841.9531(29) 2841.7902(79) 2841.6294(150) 2836.6936(94) 72069
B [MHz] 1254.8449(13) 1254.7722(19) 1254.7076(27) 1255.6163(21)
C [MHz] 870.7148(10) 871.4697(15) 872.2276(21) 871.4793(16)
τaaaa [kHz] -0.417(367) -1.839(612) 0.084(988) -3.747(815)
τbbbb [kHz] -0.281(79) -0.161(126) -0.411(184) 0.272(140)
τaabb [kHz] -0.553(440) 0.073(734) -1.280(1078) 2.543(815)
τabab [kHz] 0.029(175) -0.019(342) 0.248(560) -0.979(406)
E (cm-1) 0 188.0(24)   180.3(19)
  Vibrational State Ref.
ν48 = 1 ν23 = 1, ν48 = 1 ν47 = 1
A [kHz]     2831.5965(105) 2836.5937(157) 2838.6659(107) 72069
B [kHz] 1256.4039(19) 1255.5593(31) 1254.9585(25)
C [kHz] 872.2323(16) 872.2439(23) 871.2620(18)
τaaaa [kHz] -2.296(645) 2.341(978) -0.836(154)
τbbbb [kHz] 0.011(129) -0.605(200) 0.229(154)
τaabb [kHz] 1.539(755) -2.730(1151) 2.283(884)
τabab [kHz] -1.249(405) 1.031(590) -1.515(379)
E (cm-1)     272.7(50)
Electric Dipole Moment
µa [C · m]
     µa [D]
2.655(47) x 10-30 
     0.796(14)
  65034


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