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Nitrosyl cyanide


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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
10.93PEJonkers, Mooyman, et al., 1981LLK
11.50PEKimura, Katsumata, et al., 1981Vertical value; LLK

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   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx = 46300 T gas Dorko and Buelow, 1975
Nadler, Pfab, et al., 1984

State:   ?


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

Tx = 37000 T gas Nadler, Pfab, et al., 1984

State:   ?


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

Td = 17085 gas Nadler, Pfab, et al., 1984
Nadler, Reisler, et al., 1984
Noble, Nadler, et al., 1984

State:   A


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

To = 11339 gas A-X 540 971 Horsewood and Kirby, 1971
Dorko and Buelow, 1975
Pfab, 1983
Noble, Nadler, et al., 1984


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

a' 1 CN stretch 1956 gas PF Noble, Nadler, et al., 1984
2 N=O stretch 1485 gas PF Noble, Nadler, et al., 1984
3 C-N stretch 918 gas PF Noble, Nadler, et al., 1984
4 NCN bend 543 gas AB PF Pfab, 1983
Noble, Nadler, et al., 1984
5 CNO bend 212.5 gas AB PF Pfab, 1983
Noble, Nadler, et al., 1984
a 6 Torsion 411 gas PF Noble, Nadler, et al., 1984

State:   X


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

a' 1 CN stretch 2170.0 gas IR Bak, Nicolaisen, et al., 1979
1 CN stretch 2163.0 s Ar IR Maier, Reisenauer, et al., 1997
2 N=O stretch 1501.0 gas IR Bak, Nicolaisen, et al., 1979
2 N=O stretch 1498.5 vs Ar IR Maier, Reisenauer, et al., 1997
3 C-N stretch 820.0 gas IR Dorko and Buelow, 1975
Bak, Nicolaisen, et al., 1979
3 C-N stretch 809.5 s Ar IR Maier, Reisenauer, et al., 1997
4 NCN bend 588.5 gas IR Bak, Nicolaisen, et al., 1979
4 NCN bend 576.1 Ar IR Maier, Reisenauer, et al., 1997
5 CNO bend 212.0 ± 0.2 gas IR Nicolaisen and Nielsen, 1978
a 6 Torsion 264.2 gas IR Nicolaisen and Nielsen, 1978

Additional references: Jacox, 1994, page 188; Jacox, 2003, page 229; Dickinson, Kirby, et al., 1973; Dickinson, Kirby, et al., 1978; Nadler, Pfab, et al., 1983; Qian, Reisler, et al., 1987

Notes

sStrong
vsVery strong
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.
dPhotodissociation threshold

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes

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

Jonkers, Mooyman, et al., 1981
Jonkers, G.; Mooyman, R.; De Lange, C.A., Ultraviolet photoelectron spectroscopy of unstable species: Nitrosyl cyanide (ONCN), Chem. Phys., 1981, 57, 97. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Dorko and Buelow, 1975
Dorko, E.A.; Buelow, L., Vapor-phase infrared spectrum of nitrosyl cyanide, J. Chem. Phys., 1975, 62, 5, 1869, https://doi.org/10.1063/1.430671 . [all data]

Nadler, Pfab, et al., 1984
Nadler, I.; Pfab, J.; Reisler, H.; Wittig, C., The 540--900 nm photodissociation of 300 K NCNO: One- and two-photon processes, J. Chem. Phys., 1984, 81, 2, 653, https://doi.org/10.1063/1.447746 . [all data]

Nadler, Reisler, et al., 1984
Nadler, I.; Reisler, H.; Noble, M.; Wittig, C., Chem. Phys. Lett., 1984, 108, 115. [all data]

Noble, Nadler, et al., 1984
Noble, M.; Nadler, I.; Reisler, H.; Wittig, C., The rotationally resolved A 1A´´<--X 1A´ spectrum of expansion cooled NCNO: Vibrational fundamentals, rotational constants, and perturbations, J. Chem. Phys., 1984, 81, 10, 4333, https://doi.org/10.1063/1.447444 . [all data]

Horsewood and Kirby, 1971
Horsewood, P.; Kirby, G.W., Chem. Commun., 1971, 1139. [all data]

Pfab, 1983
Pfab, J., Fourier-transform electronic absorption spectroscopy: The 800 nm near-infrared band system of nitrosyl cyanide (NCNO), Chem. Phys. Lett., 1983, 99, 5-6, 465, https://doi.org/10.1016/0009-2614(83)80175-4 . [all data]

Bak, Nicolaisen, et al., 1979
Bak, B.; Nicolaisen, F.M.; Nielsen, O.J.; Skaarup, S., Infrared spectra of nitrosyl cyanide and 8 isotopically substituted species. A general harmonic force field determined from experimental data and ab initio calculations, J. Mol. Struct., 1979, 51, 17, https://doi.org/10.1016/0022-2860(79)80265-3 . [all data]

Maier, Reisenauer, et al., 1997
Maier, G.; Reisenauer, H.P.; Eckwert, J.; Naumann, M.; De Marco, M., Angew. Chem., 1997, 109, 1795. [all data]

Nicolaisen and Nielsen, 1978
Nicolaisen, F.M.; Nielsen, O.J., Far infrared gas spectra of nitrosyl cyanide, J. Mol. Struct., 1978, 49, 1, 97, https://doi.org/10.1016/0022-2860(78)87009-4 . [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]

Dickinson, Kirby, et al., 1973
Dickinson, R.; Kirby, G.W.; Sweeny, J.G.; Tyler, J.K., Chem. Commun., 1973, 241. [all data]

Dickinson, Kirby, et al., 1978
Dickinson, R.; Kirby, G.W.; Sweeny, J.G.; Tyler, J.K., J. Chem. Soc., 1978, Faraday Trans. 2 74, 1393. [all data]

Nadler, Pfab, et al., 1983
Nadler, I.; Pfab, J.; Radhakrishnan, G.; Reisler, H.; Wittig, C., Simultaneous one- and two-photon processes in the photodissociation of NCNO using a tunable dye lasera), J. Chem. Phys., 1983, 79, 4, 2088, https://doi.org/10.1063/1.445996 . [all data]

Qian, Reisler, et al., 1987
Qian, C.X.W.; Reisler, H.; Wittig, C., Radiative and non-radiative processes in jet-cooled NCNO, Chem. Phys. Lett., 1987, 139, 2, 175, https://doi.org/10.1016/0009-2614(87)80173-2 . [all data]


Notes

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