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o-C6D4


Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   a


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 13180 ± 100 gas Leopold, Stevens-Miller, et al., 1986
Wenthold, Squires, et al., 1998


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1515 ± 30 gas PE Wenthold, Squires, et al., 1998
1265 ± 30 gas PE Leopold, Stevens-Miller, et al., 1986
Wenthold, Squires, et al., 1998
550 ± 30 gas PE Leopold, Stevens-Miller, et al., 1986

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 CD stretch 2311 w m Ne IR Radziszewski, Hess, et al., 1992
1 CD stretch 2293 N2 IR Dunkin and MacDonald, 1979
2 CD stretch 2295 w Ne IR Radziszewski, Hess, et al., 1992
3 CC stretch 1860 ± 15 gas PE Leopold, Stevens-Miller, et al., 1986
Wenthold, Squires, et al., 1998
3 CC stretch 1844 w Ne IR Radziszewski, Hess, et al., 1992
4 Mixed 1364 w Ne IR Radziszewski, Hess, et al., 1992
5 Mixed 1198 w Ne IR Radziszewski, Hess, et al., 1992
6 Ring stretch 980 ± 20 gas PE Leopold, Stevens-Miller, et al., 1986
6 Ring stretch 995 w m Ne IR Radziszewski, Hess, et al., 1992
7 CD deform. 853 w Ne IR Radziszewski, Hess, et al., 1992
8 Ring stretch 792 w m Ne IR Radziszewski, Hess, et al., 1992
9 Ring deform. 580 ± 20 gas PE Leopold, Stevens-Miller, et al., 1986
Wenthold, Squires, et al., 1998
9 Ring deform. 579 w Ne IR Radziszewski, Hess, et al., 1992
b1 14 CD wag 679 w Ne IR Radziszewski, Hess, et al., 1992
15 CD wag 571 m Ne IR Radziszewski, Hess, et al., 1992
16 Ring torsion 336 w Ne IR Radziszewski, Hess, et al., 1992
b2 17 CD stretch 2314 w m Ne IR Radziszewski, Hess, et al., 1992
18 CD stretch 2285 w Ne IR Radziszewski, Hess, et al., 1992
19 Ring stretch 1411 w Ne IR Radziszewski, Hess, et al., 1992
20 Mixed 1293 w Ne IR Radziszewski, Hess, et al., 1992
20 Mixed 1293 N2 IR Dunkin and MacDonald, 1979
21 Mixed 1112 w Ne IR Radziszewski, Hess, et al., 1992
21 Mixed 1108 N2 IR Dunkin and MacDonald, 1979
22 Mixed 875 w Ne IR Radziszewski, Hess, et al., 1992
23 Ring deform. 790 m Ne IR Radziszewski, Hess, et al., 1992
23 Ring deform. 792 N2 IR Dunkin and MacDonald, 1979
24 Ring deform. 469 vs Ne IR Radziszewski, Hess, et al., 1992
24 Ring deform. 471 N2 IR Dunkin and MacDonald, 1979

Notes

wWeak
mMedium
vsVery strong
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Leopold, Stevens-Miller, et al., 1986
Leopold, D.G.; Stevens-Miller, A.E.; Linebergr, W.C., Determination of the singlet-triplet splitting and electron affinity of o-benzyne by negative ion photoelectron spectroscopy, J. Am. Chem. Soc., 1986, 108, 7, 1379, https://doi.org/10.1021/ja00267a003 . [all data]

Wenthold, Squires, et al., 1998
Wenthold, P.G.; Squires, R.R.; Lineberger, W.C., Ultraviolet Photoelectron Spectroscopy of the, J. Am. Chem. Soc., 1998, 120, 21, 5279, https://doi.org/10.1021/ja9803355 . [all data]

Radziszewski, Hess, et al., 1992
Radziszewski, J.G.; Hess, B.A., Jr.; Zahradnik, R., Infrared spectrum of o-benzyne: experiment and theory, J. Am. Chem. Soc., 1992, 114, 1, 52, https://doi.org/10.1021/ja00027a007 . [all data]

Dunkin and MacDonald, 1979
Dunkin, I.R.; MacDonald, J.G., J. Chem. Soc., 1979, Chem. Commun. 772. [all data]


Notes

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