Nitrosyl hydride

Formula: HNO
Molecular weight: 31.0140
IUPAC Standard InChI: InChI=1S/HNO/c1-2/h1H
IUPAC Standard InChIKey: ODUCDPQEXGNKDN-UHFFFAOYSA-N
CAS Registry Number: 14332-28-6
Chemical structure:
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Gas phase thermochemistry data

Go To: Top, Vibrational and/or electronic energy levels, References, Notes

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	99.58	kJ/mol	Review	Chase, 1998	Data last reviewed in March, 1993
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	220.72	J/mol*K	Review	Chase, 1998	Data last reviewed in March, 1993

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
C_p = 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	19.85936	52.25649
B	48.00847	3.105872
C	-25.41065	-0.598149
D	5.234644	0.039904
E	0.230115	-7.452039
F	92.51033	67.95904
G	232.8199	263.2531
H	99.57920	99.57920
Reference	Chase, 1998	Chase, 1998
Comment	Data last reviewed in March, 1993	Data last reviewed in March, 1993

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, References, Notes

Data compiled by: Marilyn E. Jacox

State: ?

Energy (cm^-1)	Med.	λ_min (nm)	λ_max (nm)	References


T_o = 48240	gas	198	208	Callear and Wood, 1971

State: A

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 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
T_o = 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.	References


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

State: a

Energy (cm^-1)	Med.	References


T_o = 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

Weak

Medium

Strong

Very strong

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

Photodissociation threshold

References

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, Notes

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

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]

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

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

Symbols used in this document:

S°_{gas,1 bar} Entropy of gas at standard conditions (1 bar)

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions