PhN radical anion

Gas phase thermochemistry 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 by: John E. Bartmess

Quantity Value Units Method Reference Comment
ΔfH°gas64.8 ± 3.7kcal/molAcidMcDonald, Chowdhury, et al., 1981Acidity near MeCN; value altered from reference due to change in acidity scale

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:   ?
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Td = 11700 ± 160 gas Travers, Cowles, et al., 1992
Mcdonald and Davidson, 1993

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1350 T gas PE Travers, Cowles, et al., 1992
Ring breathing 500 T gas PE Travers, Cowles, et al., 1992

Additional references: Jacox, 1994, page 442; Jacox, 1998, page 371

Notes

TTentative assignment or approximate value
dPhotodissociation threshold

References

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

McDonald, Chowdhury, et al., 1981
McDonald, R.N.; Chowdhury, A.K.; Setser, D.W., Gas phase generation of phenylnitrene anion radical: Proton affinity and heat of formation of PhN-. and its clustering with ROH molecules, J. Am. Chem. Soc., 1981, 103, 6599. [all data]

Travers, Cowles, et al., 1992
Travers, M.J.; Cowles, D.C.; Clifford, E.P.; Ellison, G.B., Photoelectron Spectroscopy of the Phenylnitrene Anion, J. Am. Chem. Soc., 1992, 114, 22, 8699, https://doi.org/10.1021/ja00048a053 . [all data]

Mcdonald and Davidson, 1993
Mcdonald, R.N.; Davidson, S.J., Electron Photodetachment of the Phenylnitrene Anion Radical - EA, ΔH(degrees(f), and the Singlet Triplet Splitting for Phenylnitrene, J. Chem. Soc. Chem. Comm., 1993, 115, 23, 10857, https://doi.org/10.1021/ja00076a049 . [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, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Notes

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