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PhN 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 by: John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
1.461 ± 0.013LPDDrzaic and Brauman, 1984 
1.429 ± 0.011LPDMcdonald and Davidson, 1993Singlet-triplet gap: 18.3±0.7 kcal/mol
1.450 ± 0.020LPESTravers, Cowles, et al., 1992Reanalysis ( Wijeratne, Da Fonte, et al., 2009) indicates neutral singlet is 14.8±0.5 kcal/mol higher than triplet

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics 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:   ?


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

Td = 22200 U Ar Hayes and Sheridan, 1990

State:   ?


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

Td = 22200 U N2 Hayes and Sheridan, 1990

State:   a


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

To = 6300 ± 700 gas Travers, Cowles, et al., 1992
Mcdonald and Davidson, 1993

State:   X


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

1552 s T Ar IR Hayes and Sheridan, 1990
1524 m T Ar IR Hayes and Sheridan, 1990
1497 w T Ar IR Hayes and Sheridan, 1990
1426 w m T Ar IR Hayes and Sheridan, 1990
1408 w T Ar IR Hayes and Sheridan, 1990
1309 w T Ar IR Hayes and Sheridan, 1990
1300 T gas PE Travers, Cowles, et al., 1992
1299 w T Ar IR Hayes and Sheridan, 1990
1286 m s T Ar IR Hayes and Sheridan, 1990
1250 w T Ar IR Hayes and Sheridan, 1990
1148 m T Ar IR Hayes and Sheridan, 1990
1079 w m T Ar IR Hayes and Sheridan, 1990
1008 w m T Ar IR Hayes and Sheridan, 1990
964 w T Ar IR Hayes and Sheridan, 1990
885 w T Ar IR Hayes and Sheridan, 1990
820 w m T Ar IR Hayes and Sheridan, 1990
OPLA CH-bend 746 vs T Ar IR Hayes and Sheridan, 1990
Ring torsion 654 s T Ar IR Hayes and Sheridan, 1990
Ring breathing 515 T gas PE PD Travers, Cowles, et al., 1992
Mcdonald and Davidson, 1993

Additional references: Jacox, 1994, page 442; Jacox, 1998, page 370

Notes

wWeak
mMedium
sStrong
vsVery strong
UUpper bound
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
dPhotodissociation threshold

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.

Drzaic and Brauman, 1984
Drzaic, P.S.; Brauman, J.I., A determination of the singlet-triplet splitting in phenylnitrene via photoelectron detachment, J. Am. Chem. Soc., 1984, 106, 3443. [all data]

Mcdonald and Davidson, 1993
Mcdonald, R.N.; Davidson, S.J., Electron Photodetachment of the Phenylnitrene Anion Radical - EA, «DELTA»H(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]

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]

Wijeratne, Da Fonte, et al., 2009
Wijeratne, N.R.; Da Fonte, M.; Ronenius, A.; Wyss, P.J.; Tahmassebi, D.; Wenthold, P.G., Photoelectron Spectroscopy of Chloro-Substituted Phenylnitrene Anions, J. Phys. Chem. A, 2009, 113, 34, 9467-9473, https://doi.org/10.1021/jp9039594 . [all data]

Hayes and Sheridan, 1990
Hayes, J.C.; Sheridan, R.S., The IR spectrum of triplet phenylnitrene. On the origin of didehydroazepine in low temperature matrices, J. Am. Chem. Soc., 1990, 112, 15, 5879, https://doi.org/10.1021/ja00171a038 . [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

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