Nitrosyl hydride


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.

Quantity Value Units Method Reference Comment
Δfgas99.58kJ/molReviewChase, 1998Data last reviewed in March, 1993
Quantity Value Units Method Reference Comment
gas,1 bar220.72J/mol*KReviewChase, 1998Data last reviewed in March, 1993

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1200.1200. to 6000.
A 19.8593652.25649
B 48.008473.105872
C -25.41065-0.598149
D 5.2346440.039904
E 0.230115-7.452039
F 92.5103367.95904
G 232.8199263.2531
H 99.5792099.57920
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1993 Data last reviewed in March, 1993

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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to HNO+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
0.338 ± 0.015LPESEllis and Ellison, 1983B

Ionization energy determinations

IE (eV) Method Reference Comment
10.1DERLias, Bartmess, et al., 1988LL

De-protonation reactions

Nitric oxide anion + Hydrogen cation = Nitrosyl hydride

By formula: NO- + H+ = HNO

Quantity Value Units Method Reference Comment
Δr1511.6 ± 0.63kJ/molD-EATravers, Cowles, et al., 1989gas phase; ground state triplet anion; B
Quantity Value Units Method Reference Comment
Δr1484.0 ± 1.4kJ/molH-TSTravers, Cowles, et al., 1989gas phase; ground state triplet anion; B

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

To = 48240 gas 198 208 Callear and Wood, 1971

State:   A


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

To = 13154.37 gas A-X 550 770 Dalby, 1958
Bancroft, Hollas, et al., 1962
Dixon, Jones, et al., 1981
Dixon and Rosser, 1985
Ramsay and Zhu, 1995
Pearson, Orr-Ewing, et al., 1997
To = 13118 ± 2 Ar A-X 590 762 Robinson and McCarty, 1958
Robinson and McCarty, 1958, 2


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

a' 1 NH stretch 2854.17 gas AB Bancroft, Hollas, et al., 1962
2 Bend 981.18 gas AB Dalby, 1958
2 Bend 982 Ar AB Robinson and McCarty, 1958
Robinson and McCarty, 1958, 2
3 NO stretch 1420.77 gas AB Dalby, 1958
3 NO stretch 1422 Ar AB Robinson and McCarty, 1958
Robinson and McCarty, 1958, 2

State:   ?


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

Td = 16450 ± 20 gas Dixon, Jones, et al., 1981

State:   a


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

To = 6280 ± 160 gas Ellis and Ellison, 1983


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

a' 2 Bend 992 ± 150 gas PE Ellis and Ellison, 1983
3 NO stretch 1468 ± 140 gas PE Ellis and Ellison, 1983

State:   X


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

a' 1 NH stretch 2683.95 gas IR EM Clough, Thrush, et al., 1973
Johns, McKellar, et al., 1983
Petersen and Vervloet, 1987
1 NH stretch 2716.3 w m Ar IR Jacox and Milligan, 1973
1 NH stretch 2756 m N2 IR Jacox and Milligan, 1973
2 Bend 1500.82 gas LS Johns and McKellar, 1977
2 Bend 1505 w Ar IR Jacox and Milligan, 1973
2 Bend 1511 w N2 IR Jacox and Milligan, 1973
3 NO stretch 1565.34 gas LS Johns and McKellar, 1977
3 NO stretch 1563.2 vs Ar IR Jacox and Milligan, 1973
3 NO stretch 1568.5 s N2 IR Jacox and Milligan, 1973

Additional references: Jacox, 1994, page 45; Jacox, 1998, page 151; Takagi and Saito, 1972; Saito and Takagi, 1973; Takagi, Saito, et al., 1980; Dixon, Noble, et al., 1981; Obi, Matsumi, et al., 1983; Petersen, Saito, et al., 1984; Dixon and Rosser, 1984; Sastry, Helminger, et al., 1984; Petersen, 1985; Mayama, Egashira, et al., 1989; Boucher, Burie, et al., 1996

Notes

wWeak
mMedium
sStrong
vsVery strong
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
dPhotodissociation threshold

References

Go To: Top, Gas phase thermochemistry data, 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Ellis and Ellison, 1983
Ellis, H.B., Jr.; Ellison, G.B., Photoelectron spectroscopy of HNO- and DNO-, J. Chem. Phys., 1983, 78, 6541. [all data]

Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G., Gas-phase ion and neutral thermochemistry, J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]

Travers, Cowles, et al., 1989
Travers, M.J.; Cowles, D.C.; Ellison, G.B., Reinvestigation of the Electron Affinities of O2 and NO, Chem. Phys. Lett., 1989, 164, 5, 449, https://doi.org/10.1016/0009-2614(89)85237-6 . [all data]

Callear and Wood, 1971
Callear, A.B.; Wood, P.M., A system of HNO in the far ultra-violet and measurement of its oscillator strength, Trans. Faraday Soc., 1971, 67, 3399, https://doi.org/10.1039/tf9716703399 . [all data]

Dalby, 1958
Dalby, F.W., THE SPECTRUM AND STRUCTURE OF THE HNO MOLECULE, Can. J. Phys., 1958, 36, 10, 1336, https://doi.org/10.1139/p58-138 . [all data]

Bancroft, Hollas, et al., 1962
Bancroft, J.L.; Hollas, J.M.; Ramsay, D.A., THE ABSORPTION SPECTRA OF HNO AND DNO, Can. J. Phys., 1962, 40, 3, 322, https://doi.org/10.1139/p62-032 . [all data]

Dixon, Jones, et al., 1981
Dixon, R.N.; Jones, K.B.; Noble, M.; Carter, S., The mechanism of HNO predissociation, Mol. Phys., 1981, 42, 2, 455, https://doi.org/10.1080/00268978100100391 . [all data]

Dixon and Rosser, 1985
Dixon, R.N.; Rosser, C.A., The characterization of the complete set of bound vibronic states of HNO in its excited electronic state, J. Mol. Spectrosc., 1985, 110, 2, 262, https://doi.org/10.1016/0022-2852(85)90294-2 . [all data]

Ramsay and Zhu, 1995
Ramsay, D.A.; Zhu, Q.-S., J. Chem. Soc., 1995, Faraday Trans. 91, 2975. [all data]

Pearson, Orr-Ewing, et al., 1997
Pearson, J.; Orr-Ewing, A.J.; Ashfold, M.N.R.; Dixon, R.N., Spectroscopy and predissociation dynamics of the A [sup 1]A[sup ´´] state of HNO, J. Chem. Phys., 1997, 106, 14, 5850, https://doi.org/10.1063/1.473252 . [all data]

Robinson and McCarty, 1958
Robinson, G.W.; McCarty, M., Jr., Electronic Spectra of Free Radicals at 4°K[Single Bond]HNO, NH, and OH, J. Chem. Phys., 1958, 28, 2, 350, https://doi.org/10.1063/1.1744123 . [all data]

Robinson and McCarty, 1958, 2
Robinson, G.W.; McCarty, M., Jr., RADICAL SPECTRA AT LIQUID HELIUM TEMPERATURES, Can. J. Phys., 1958, 36, 11, 1590, https://doi.org/10.1139/p58-160 . [all data]

Clough, Thrush, et al., 1973
Clough, P.N.; Thrush, B.A.; Ramsay, D.A.; Stamper, J.G., The vibrational frequencies of HNO, Chem. Phys. Lett., 1973, 23, 2, 155, https://doi.org/10.1016/0009-2614(73)80239-8 . [all data]

Johns, McKellar, et al., 1983
Johns, J.W.C.; McKellar, A.R.W.; Weinberger, E., The infrared spectrum of HNO, Can. J. Phys., 1983, 61, 7, 1106, https://doi.org/10.1139/p83-142 . [all data]

Petersen and Vervloet, 1987
Petersen, J.C.; Vervloet, M., Infrared emission spectrum of HNO: The ν1 band, Chem. Phys. Lett., 1987, 141, 6, 499, https://doi.org/10.1016/0009-2614(87)85068-6 . [all data]

Jacox and Milligan, 1973
Jacox, M.E.; Milligan, D.E., Matrix-isolation study of the reaction of H atoms with NO, J. Mol. Spectrosc., 1973, 48, 3, 536, https://doi.org/10.1016/0022-2852(73)90116-1 . [all data]

Johns and McKellar, 1977
Johns, J.W.C.; McKellar, A.R.W., Laser Stark spectroscopy of the fundamental bands of HNO (ν2 and ν3) and DNO (ν1 and ν2), J. Chem. Phys., 1977, 66, 3, 1217, https://doi.org/10.1063/1.434013 . [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]

Takagi and Saito, 1972
Takagi, K.; Saito, S., Microwave spectrum of DNO, J. Mol. Spectrosc., 1972, 44, 1, 81, https://doi.org/10.1016/0022-2852(72)90193-2 . [all data]

Saito and Takagi, 1973
Saito, S.; Takagi, K., Microwave spectrum of nitroxyl, J. Mol. Spectrosc., 1973, 47, 1, 99, https://doi.org/10.1016/0022-2852(73)90079-9 . [all data]

Takagi, Saito, et al., 1980
Takagi, K.; Saito, S.; Kakimoto, M.; Hirota, E., Microwave optical double resonance of HNO: Rotational spectrum in A1A´´(100)., J. Chem. Phys., 1980, 73, 6, 2570, https://doi.org/10.1063/1.440492 . [all data]

Dixon, Noble, et al., 1981
Dixon, R.N.; Noble, M.; Taylor, C.A.; Delhoume, M., Magnetic-field and time-resolved studies of the electronic spectrum of HNO, Disc. Faraday Soc., 1981, 71, 125, https://doi.org/10.1039/dc9817100125 . [all data]

Obi, Matsumi, et al., 1983
Obi, K.; Matsumi, Y.; Takeda, Y.; Mayama, S.; Watanabe, H.; Tsuchiya, S., Flourescence lifetimes anf excitation spectra of the jet-cooled HNO radical, Chem. Phys. Lett., 1983, 95, 6, 520, https://doi.org/10.1016/0009-2614(83)80345-5 . [all data]

Petersen, Saito, et al., 1984
Petersen, J.C.; Saito, S.; Amano, T.; Ramsay, D.A., Microwave-optical double resonance of HNO in the Ã, Can. J. Phys., 1984, 62, 12, 1731, https://doi.org/10.1139/p84-219 . [all data]

Dixon and Rosser, 1984
Dixon, R.N.; Rosser, C.A., Predissociation of the DNO molecule and the bond dissociation energy for DNO → D + NO, Chem. Phys. Lett., 1984, 108, 4, 323, https://doi.org/10.1016/0009-2614(84)85199-4 . [all data]

Sastry, Helminger, et al., 1984
Sastry, K.V.L.N.; Helminger, P.; Plummer, G.M.; Herbst, E.; De Lucia, F.C., Laboratory millimeter and submillimeter spectra of HNO and DNO, Astrophys. J. Suppl., 1984, 55, 563, https://doi.org/10.1086/190968 . [all data]

Petersen, 1985
Petersen, J.C., Doppler-limited dye laser excitation spectroscopy of DNO: Predissociation of DNO, J. Mol. Spectrosc., 1985, 110, 2, 277, https://doi.org/10.1016/0022-2852(85)90295-4 . [all data]

Mayama, Egashira, et al., 1989
Mayama, S.; Egashira, K.; Obi, K., Laser Induced Fluorescence of Hno and Dno A4a" - X1a' in a Supersonic Free Jet, Res. Chem. Intermed., 1989, 12, 3, 285, https://doi.org/10.1163/156856789X00311 . [all data]

Boucher, Burie, et al., 1996
Boucher, D.; Burie, J.; Chen, W.; Kabbadj, Y.; Mouret, G., Optogalvanic Spectrum of the (000)--(000) Band of theÃ1A´´--X1A´ System of HNO Using a Ti:Sapphire Laser, J. Mol. Spectrosc., 1996, 180, 2, 433, https://doi.org/10.1006/jmsp.1996.0267 . [all data]


Notes

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