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:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | 23.80 | kcal/mol | Review | Chase, 1998 | Data last reviewed in March, 1993 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 52.753 | cal/mol*K | Review | Chase, 1998 | Data 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1200. | 1200. to 6000. |
|---|---|---|
| A | 4.746501 | 12.48960 |
| B | 11.47430 | 0.742321 |
| C | -6.073292 | -0.142961 |
| D | 1.251110 | 0.009537 |
| E | 0.054999 | -1.781081 |
| F | 22.11050 | 16.24260 |
| G | 55.64529 | 62.91900 |
| H | 23.80000 | 23.80000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in March, 1993 | Data last reviewed in March, 1993 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 361.27 ± 0.15 | kcal/mol | D-EA | Travers, Cowles, et al., 1989 | gas phase; ground state triplet anion |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 354.68 ± 0.34 | kcal/mol | H-TS | Travers, Cowles, et al., 1989 | gas phase; ground state triplet anion |
+
= (
•
)
By formula: F- + HNO = (F- • HNO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 33.0 ± 3.0 | kcal/mol | IMRB | Janaway, Zhong, et al., 1997 | gas phase; Actual structure probably HF..NO- |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, References, Notes
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 ± 0.015 | LPES | Ellis and Ellison, 1983 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.1 | DER | Lias, Bartmess, et al., 1988 | LL |
De-protonation reactions
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 361.27 ± 0.15 | kcal/mol | D-EA | Travers, Cowles, et al., 1989 | gas phase; ground state triplet anion; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 354.68 ± 0.34 | kcal/mol | H-TS | Travers, Cowles, et al., 1989 | gas phase; ground state triplet anion; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+
= (
•
)
By formula: F- + HNO = (F- • HNO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 33.0 ± 3.0 | kcal/mol | IMRB | Janaway, Zhong, et al., 1997 | gas phase; Actual structure probably HF..NO- |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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 | 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
| w | Weak |
| m | Medium |
| s | Strong |
| vs | Very strong |
| o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
| d | Photodissociation threshold |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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]
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]
Janaway, Zhong, et al., 1997
Janaway, G.A.; Zhong, M.; Gatev, G.G.; Chabinyc, M.L.; Brauman, J.I.,
[FHNO]-: An Intermediate in a Spin-Forbidden Proton Transfer Reaction,
J. Am. Chem. Soc., 1997, 119, 48, 11697, https://doi.org/10.1021/ja9726872
. [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]
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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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