n-Propoxy radical


Gas phase ion energetics data

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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 as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C3H7O+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
1.789 ± 0.033LPESEllison, Engleking, et al., 1982B
1.78 ± 0.10D-EABartmess, Scott, et al., 1979value altered from reference due to change in acidity scale; B
1.87 ± 0.10EIAEWilliams and Hamill, 1968From nPrONO; B
>1.81262EIAETrepka and Neuert, 1963From nPrOH; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.20 ± 0.05EIWilliams and Hamill, 1968RDSH

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:   B


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 28634.21 gas B-X 335 520 Bai, Okabe, et al., 1989
Mund, Fockenberg, et al., 1998
Carter, Atwell, et al., 2000
Gopalakrishnan, Carter, et al., 2003
Jin, Sioutis, et al., 2004


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

CO stretch 595.31 gas LF Mund, Fockenberg, et al., 1998
Carter, Atwell, et al., 2000
Gopalakrishnan, Carter, et al., 2003

State:   A


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 214 ± 15 gas Jin, Sioutis, et al., 2004


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

17 1040 ± 15 gas LF Jin, Sioutis, et al., 2004
18 CO stretch 1068 ± 15 gas LF Jin, Sioutis, et al., 2004
19 990 ± 15 gas LF Jin, Sioutis, et al., 2004

State:   X


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

17 1039 ± 15 gas LF Jin, Sioutis, et al., 2004
CO stretch 1066 ± 15 gas LF Bai, Okabe, et al., 1989
Mund, Fockenberg, et al., 1998
Jin, Sioutis, et al., 2004
19 973 ± 15 gas LF Jin, Sioutis, et al., 2004
21 859 ± 15 gas LF Jin, Sioutis, et al., 2004
22 743 ± 15 gas LF Jin, Sioutis, et al., 2004
23 485 ± 15 gas LF Jin, Sioutis, et al., 2004
24 383 ± 15 gas LF Jin, Sioutis, et al., 2004
25 302 ± 15 gas LF Jin, Sioutis, et al., 2004
27 135 ± 15 gas LF Jin, Sioutis, et al., 2004

Additional references: Jacox, 1994, page 416; Jacox, 2003, page 390; Gopalakrishnan, Zu, et al., 2003

Notes

oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase ion energetics 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.

Ellison, Engleking, et al., 1982
Ellison, G.B.; Engleking, P.C.; Lineberger, W.C., Photoelectron spectroscopy of alkoxide and enolate negative ions, J. Phys. Chem., 1982, 86, 4873. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H., Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer, J. Chem. Phys., 1968, 49, 4467. [all data]

Trepka and Neuert, 1963
Trepka, L.v.; Neuert, H., Uber die Entstehenung von Negativen Ionen aus einigen Kohlenwasserstoffen und Alkoholen durch Elektronenstoss, Z. Naturfor., 1963, 18A, 1295. [all data]

Bai, Okabe, et al., 1989
Bai, J.; Okabe, H.; Emadi-Babaki, M.K., J. Photochem. Photobiol., 1989, A:Chem. 50, 163. [all data]

Mund, Fockenberg, et al., 1998
Mund, Ch.; Fockenberg, Ch.; Zellner, R., LIF spectra of n-propoxy and i-propoxy radicals and kinetics of their reactions with O2 and NO2, Ber. Bunsenges. Phys. Chem., 1998, 102, 5, 709, https://doi.org/10.1002/bbpc.19981020502 . [all data]

Carter, Atwell, et al., 2000
Carter, C.C.; Atwell, J.R.; Gopalakrishnan, S.; Miller, T.A., Jet-Cooled Laser-Induced Fluorescence Spectroscopy of Some Alkoxy Radicals, J. Phys. Chem. A, 2000, 104, 40, 9165, https://doi.org/10.1021/jp001835z . [all data]

Gopalakrishnan, Carter, et al., 2003
Gopalakrishnan, S.; Carter, C.C.; Zu, L.; Stakhursky, V.; Tarczay, G.; Miller, T.A., Rotationally resolved B--X electronic spectra of both conformers of the 1-propoxy radical, J. Chem. Phys., 2003, 118, 11, 4954, https://doi.org/10.1063/1.1545441 . [all data]

Jin, Sioutis, et al., 2004
Jin, J.; Sioutis, I.; Tarczay, G.; Gopalakrishnan, S.; Bezant, A.; Miller, T.A., Dispersed fluorescence spectroscopy of primary and secondary alkoxy radicals, J. Chem. Phys., 2004, 121, 23, 11780, https://doi.org/10.1063/1.1814104 . [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]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Gopalakrishnan, Zu, et al., 2003
Gopalakrishnan, S.; Zu, L.; Miller, T.A., Radiative and non-radiative decay of selected vibronic levels of the state of alkoxy radicals, Chem. Phys. Lett., 2003, 380, 5-6, 749, https://doi.org/10.1016/j.cplett.2003.08.124 . [all data]


Notes

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