Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Tert-butyl radical

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

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

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

Quantity Value Units Method Reference Comment
Deltafgas11. ± 0.7kcal/molN/ATsang, 1996 

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, References, Notes

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:   3d


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

Tx = 42900 gas 3d-X Parkes and Quinn, 1975
Parkes and Quinn, 1976
Wendt and Hunziker, 1984

State:   3p


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

Tx = 39500 gas 3p-X Parkes and Quinn, 1976
Wendt and Hunziker, 1984

State:   3s


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

Tx = 30000 gas 3s-X Wendt and Hunziker, 1984

State:   X


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

a1 CH stretch 2931 Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984
CH stretch 2833 gas IR Bethune, 1981
CH stretch 2825 vs Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984
CH3 deform. 1455 Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984
CH3 deform. 1367 Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984
CH3 rock 992 Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984
CC stretch 733 Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984
e CH stretch 2931 Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984
CH stretch 2825 vs Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984
CH3 deform. 1455 Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984
CH3 deform. 1371 Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984
CC stretch 1279 Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984
CH3 rock 811 Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984
C3 bend 541 Ar IR Pacansky and Chang, 1981
Schrader, Pacansky, et al., 1984

Additional references: Jacox, 1994, page 384

Notes

vsVery strong
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Gas phase thermochemistry data, 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.

Tsang, 1996
Tsang, W., Heats of Formation of Organic Free Radicals by Kinetic Methods in Energetics of Organic Free Radicals, Martinho Simoes, J.A.; Greenberg, A.; Liebman, J.F., eds., Blackie Academic and Professional, London, 1996, 22-58. [all data]

Parkes and Quinn, 1975
Parkes, D.A.; Quinn, C.P., The ultraviolet absorption spectrum of tert-butyl radicals and the rate constant for their recombination, Chem. Phys. Lett., 1975, 33, 3, 483, https://doi.org/10.1016/0009-2614(75)85757-5 . [all data]

Parkes and Quinn, 1976
Parkes, D.A.; Quinn, C.P., J. Chem. Soc., 1976, Faraday Trans. 1 72, 1952. [all data]

Wendt and Hunziker, 1984
Wendt, H.R.; Hunziker, H.E., The UV spectra of primary, secondary, and tertiary alkyl radicals, J. Chem. Phys., 1984, 81, 2, 717, https://doi.org/10.1063/1.447755 . [all data]

Pacansky and Chang, 1981
Pacansky, J.; Chang, J.S., Infrared matrix isolation studies on the t-butyl radical, J. Chem. Phys., 1981, 74, 10, 5539, https://doi.org/10.1063/1.440916 . [all data]

Schrader, Pacansky, et al., 1984
Schrader, B.; Pacansky, J.; Pfeiffer, U., Calculation of the frequencies and intensities in the infrared spectra of matrix-isolated tert-butyl radical and isobutane, J. Phys. Chem., 1984, 88, 18, 4069, https://doi.org/10.1021/j150662a043 . [all data]

Bethune, 1981
Bethune, D.S., J. R. Lankard, 1981, P. P. Sorokin, A. J. Schell-Sorokin, R. M. Plecenik, and Ph. Avouris, J. Chem. Phys. 75, 2231. [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References